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Sample records for co2-based heusler compounds

  1. Special Heusler compounds for spintronic applications

    Energy Technology Data Exchange (ETDEWEB)

    Balke, B.

    2007-07-01

    This work emphasizes the potential of Heusler compounds in a wide range of spintronic applications. Using electronic structure calculations it is possible to design compounds for specific applications. Examples for GMR and TMR applications, for spin injection into semiconductors, and for spin torque transfer applications will be shown. After a detailed introduction about spintronics and related materials chapter 5 reports about the investigation of new half-metallic compounds where the Fermi energy is tuned in the middle of the gap to result in more stable compounds for GMR and TMR applications. The bulk properties of the quaternary Heusler alloy Co{sub 2}Mn{sub 1-x}Fe{sub x}Si with the Fe concentration ranging from x=0 to 1 are reported and the results suggest that the best candidate for applications may be found at an iron concentration of about 50%. Due to the effect that in the Co{sub 2}Mn{sub 1-x}Fe{sub x}Si series the transition metal carrying the localized moment is exchanged and this might lead to unexpected effects on the magnetic properties if the samples are not completely homogeneous chapter 6 reports about the optimization of the Heusler compounds for GMR and TMR applications. The structural and magnetic properties of the quaternary Heusler alloy Co{sub 2}FeAl{sub 1-x}Si{sub x} with varying Si concentration are reported. From the combination of experimental (better order for high Si content) and theoretical findings (robust gap at x=0.5) it is concluded that a compound with an intermediate Si concentration close to x=0.5-0.7 would be best suited for spintronic applications, especially for GMR and TMR applications. In chapter 7 the detailed investigation of compounds for spin injection into semiconductors is reported. It is shown that the diluted magnetic semiconductors based on CoTiSb with a very low lattice mismatch among each other are interesting materials for spintronics applications like Spin-LEDs or other spin injection devices. Chapter 8 refers

  2. Thin film Heusler compounds manganese nickel gallium

    Science.gov (United States)

    Jenkins, Catherine Ann

    Multiferroic Heusler compounds Mn3--xNi xGa (x=0,1,2) have a tetragonal unit cell that can variously be used for magneto-mechanically coupled shape memory ( x=1,2) and spin-mechanical applications (x=0). The first fabrication of fully epitaxial thin films of these and electronically related compounds by sputtering is discussed. Traditional and custom lab characterization of the magnetic and temperature driven multiferroic behavior is augmented by more detailed synchrotron-based high energy photoemission spectroscopic techniques to describe the atomic and electronic structure. Integration of the MnNi2Ga magnetic shape memory compound in microwave patch antennas and active free-standing structures represents a fraction of the available and promising applications for these compounds. Prototype magnetic tunnel junctions are demonstrated by Mn3Ga electrodes with perpendicular anisotropy for spin torque transfer memory structures. The main body of the work concentrates on the definition and exploration of the material series Mn3--xNi xGa (x=0,1,2) and the relevant multiferroic phenomena exhibited as a function of preparation and external stimuli. Engineering results on each x=0,1,2 are presented with device prototypes where relevant. In the appendices the process of the materials design undertaken with the goal of developing new ternary intermetallics with enhanced properties is presented with a full exploration of the road from band structure calculations to device implementation. Cobalt based compounds in single crystal and nanoparticle form are fabricated with an eye to developing the production methods for new cobalt- and iron-based magnetic shape memory compounds for device applications in different forms. Mn2CoSn, a compound isolectronic and with similar atomic ordering to Mn2NiGa is experimentally determined to be a nearly half-metallic ferromagnet in contrast to the metallic ferrimagnetism in the parent compound. High energy photoemission spectroscopy is shown to

  3. EDITORIAL: Cluster issue on Heusler compounds and devices Cluster issue on Heusler compounds and devices

    Science.gov (United States)

    Felser, Claudia; Hillebrands, Burkard

    2009-04-01

    This is the third cluster issue of Journal Physics D: Applied Physics devoted to half-metallic Heusler compounds and devices utilizing this class of materials. Heusler compounds are named after Fritz Heusler, the owner of a German copper mine, the Isabellenhütte, who discovered this class of materials in 1903 [1]. He synthesized mixtures of Cu2Mn alloys with various main group metals Z = Al, Si, Sn, Sb, which became ferromagnetic despite all constituents being non-magnetic. The recent success story of Heusler compounds began in 1983 with the discovery of the half-metallic electronic structure in NiMnSb [2] and Co2MnZ [3], making these and similar materials, in particular PtMnSb, also useful for magneto-optical data storage media applications due to their high Kerr rotation. The real breakthrough, however, came in 2000 with the observation of a large magnetoresistance effect in Co2Cr0.6Fe0.4Al [4]. The Co2YZ (Y = Ti, Cr, Mn, Fe) compounds are a special class of materials, which follow the Slater-Pauling rule [5], and most of them are half-metallic bulk materials. The electronic structure of Heusler compounds is well understood [6] and Curie temperatures up to 1100 K have been observed [7]. In their contribution to this cluster issue, Thoene et al predict that still higher Curie temperatures can be achieved. A breakthrough from the viewpoint of materials design is the synthesis of nanoparticles of Heusler compounds as reported in the contribution by Basit et al. Nano-sized half- metallic ferromagnets will open new directions for spintronic applications. The challenge, however, is still to produce spintronic devices with well defined interfaces to take advantage of the half-metallicity of the electrodes. Several groups have succeeded in producing excellent tunnel junctions with high magnetoresistance effects at low temperatures and decent values at room temperature [8-11]. Spin-dependent tunnelling characteristics of fully epitaxial magnetic tunnel junctions with a

  4. Spin-filter and spin-gapless semiconductors: The case of Heusler compounds

    International Nuclear Information System (INIS)

    Galanakis, I.; Özdoğan, K.; Şaşıoğlu, E.

    2016-01-01

    We review our recent first-principles results on the inverse Heusler compounds and the ordered quaternary (also known as LiMgPdSn-type) Heusler compounds. Among these two subfamilies of the full-Heusler compounds, several have been shown to be magnetic semiconductors. Such material can find versatile applications, e.g. as spin-filter materials in magnetic tunnel junctions. Finally, a special case are the spin-gapless semiconductors, where the energy gap at the Fermi level for the one spin-direction is almost vanishing, offering novel functionalities in spintronic/magnetoelectronic devices.

  5. Transport measurements on superconducting iron pnictides and Heusler compounds; Transportmessungen an Supraleitenden Eisenpniktiden und Heusler-Verbindungen

    Energy Technology Data Exchange (ETDEWEB)

    Bombor, Dirk

    2014-09-05

    In this work, results of electronic transport measurements are discussed for superconducting iron pnictides as well as for ferromagnetic Heusler compounds. The iron pnictides are a recently discovered class of high temperature superconductors where magnetism might play a crucial role. While the 122-pnictides show antiferromagnetism and migrate to the superconducting state upon doping, ferromagnetism has been observed in doped LiFeAs. On the other hand, in the undoped state this material shows interesting superconducting properties. Among other properties, Heusler compounds are well known due to their ferromagnetism. Co{sub 2}FeSi, which was investigated in this work, is one of the strongest ferromagnets. Beside this, one predicts this compound to be a half-metallic ferromagnet with completely spin polarized electronic transport where all conducting electrons have the same spin. The here addressed properties can well be investigated with the method of electronic transport measurements, whose results on single crystals are discussed in this work.

  6. Superconductivity and magnetic order in the noncentrosymmetric half-Heusler compound ErPdBi

    NARCIS (Netherlands)

    Pan, Y.; Nikitin, A.M.; Bay, T.V.; Huang, Y.K.; Paulsen, C.; Yan, B.H.; de Visser, A.

    2013-01-01

    We report superconductivity at Tc = 1.22 K and magnetic order at TN = 1.06\\ K in the semimetallic noncentrosymmetric half-Heusler compound ErPdBi. The upper critical field, Bc2, has an unusual quasi-linear temperature variation and reaches a value of 1.6 T for T - 0 . Magnetic order is found below

  7. Energy gap formation mechanism through the interference phenomena of electrons in face-centered cubic elements and compounds with the emphasis on half-Heusler and Heusler compounds

    Science.gov (United States)

    Mizutani, U.; Sato, H.

    2018-05-01

    Many face-centred cubic elements and compounds with the number of atoms per unit cell N equal to 8, 12 and 16 are known to be stabilised by forming either a band gap or a pseudogap at the Fermi level. They are conveniently expressed as cF8, cF12 and cF16, respectively, in the Pearson symbol. From the cF8 family, we worked on three tetravalent elements C (diamond), Si and Ge, SZn-type AsGa compound and NaCl-type compounds like BiLu, AsSc, etc. From the cF12 family, more than 80 compounds were selected, with a particular emphasis on ABC- and half-Heusler-type ternary equiatomic compounds. Among cF16 compounds, both the Heusler compounds ABC2 and Zintl compounds were studied. We revealed that, regardless of whether or not the transition metal (TM) and/or rare-earth (RE) elements are involved as constituent elements, the energy gap formation mechanism for cF8, cF12 and cF16 compounds can be universally discussed in terms of interference phenomenon of itinerant electrons with set of reciprocal lattice planes with ? = 8, 11 and 12, where ? refers to square of the critical reciprocal of lattice vector of an fcc lattice. The number of itinerant electrons per unit cell, e/uc, for all these band gap/pseudogap-bearing compounds is found to fall on a universal line called "3/2-power law" when plotted against ? on a logarithmic scale. This proves the validity of the fulfilment of the interference condition ? in conformity with other pseudogap compounds with different crystal symmetries and different sizes of the unit cell reported in literature.

  8. Noncollinear magnetism in Mn{sub 2}RhSn Heusler compound

    Energy Technology Data Exchange (ETDEWEB)

    Meshcheriakova, Olga

    2014-09-15

    Heusler compounds is a large class of materials, which exhibits diverse fundamental phenomena, together with the possibility of their specific tailoring for various engineering demands. Present work discusses the magnetic noncollinearity in the family of noncentrosymmetric ferrimagnetic Mn{sub 2}-based Heusler compounds. Based on the obtained experimental and theoretical results, Mn{sub 2}YZ Heusler family is suspected to provide promising candidates for the formation of the skyrmion lattice. The work is focused on Mn{sub 2}RhSn bulk polycrystalline sample, which serves as a prototype. It crystallizes in the tetragonal noncentrosymmetric structure (No. 119, I anti 4m2), which enables the anisotropic Dzyaloshinskii-Moriya (DM) exchange coupling. Additional short-range modulation, induced by the competing nearest and next-nearest interplanes Heisenberg exchange, is suppressed above the 80 K. This allows to develop the long-range modulations in the ideal ferrimagnetic structure within the ab crystallographic planes, and thus, favors to the occurrence of the skyrmion lattice within the temperature range of (80≤T≤ 270) K. The studies of Mn{sub 2}RhSn were expanded to the broad composition range and continued on thin film samples.

  9. EDITORIAL: New materials with high spin polarization: half-metallic Heusler compounds

    Science.gov (United States)

    Felser, Claudia; Hillebrands, Burkard

    2007-03-01

    The development of magnetic Heusler compounds, specifically designed as materials for spintronic applications, has made tremendous progress in the very recent past [1-21]. Heusler compounds can be made as half-metals, showing a high spin polarization of the conduction electrons of up to 100% [1]. These materials are exceptionally well suited for applications in magnetic tunnel junctions acting, for example, as sensors for magnetic fields. The tunnelling magneto-resistance (TMR) effect is the relative change in the electrical resistance upon application of a small magnetic field. Tunnel junctions with a TMR effect of 580% at 4 K were reported by the group of Miyazaki and Ando [1], consisting of two Co2MnSi Heusler electrodes. High Curie temperatures were found in Co2 Heusler compounds with values up to 1120 K in Co2FeSi [2]. The latest results are for a TMR device made from the Co2FeAl0.5Si0.5 Heusler compound and working at room temperature with a TMR effect of 174% [3]. The first significant magneto-resistance effect was discovered in Co2Cr0.6Fe0.4Al (CCFA) in Mainz [4]. With the classical Heusler compound CCFA as one electrode, the record TMR effect at 4 K is 240% [5]. Positive and negative TMR values at room temperature utilizing magnetic tunnel junctions with one Heusler compound electrode render magnetic logic possible [6]. Research efforts exist, in particular, in Japan and in Germany. The status of research as of winter 2005 was compiled in a recent special volume of Journal of Physics D: Applied Physics [7-20]. Since then specific progress has been made on the issues of (i) new advanced Heusler materials, (ii) advanced characterization, and (iii) advanced devices using the new materials. In Germany, the Mainz and Kaiserslautern based Research Unit 559 `New Materials with High Spin Polarization', funded since 2004 by the Deutsche Forschungsgemeinschaft, is a basic science approach to Heusler compounds, and it addresses the first two topics in particular

  10. Electronic structure and physical properties of Heusler compounds for thermoelectric and spintronic applications

    Energy Technology Data Exchange (ETDEWEB)

    Ouardi, Siham

    2012-03-19

    This thesis focuses on synthesis as well as investigations of the electronic structure and properties of Heusler compounds for spintronic and thermoelectric applications. The first part reports on the electronic and crystal structure as well as the mechanical, magnetic, and transport properties of the polycrystalline Heusler compound Co{sub 2}MnGe. The crystalline structure was examined in detail by extended X-ray absorption fine structure spectroscopy and anomalous X-ray diffraction. The low-temperature magnetic moment agrees well with the Slater-Pauling rule and indicates a half-metallic ferromagnetic state of the compound, as is predicted by ab-initio calculations. Transport measurements and hard X-ray photoelectron spectroscopy (HAXPES) were performed to explain the electronic structure of the compound. A major part of the thesis deals with a systematical investigation of Heusler compounds for thermoelectric applications. This thesis focuses on the search for new p-type Heusler compounds with high thermoelectric efficiency. The substitutional series NiTi{sub 1-x}M{sub x}Sn (where M=Sc, V and 0Heusler compound. The pure compounds showed n-type behavior, while under Sc substitution the system switched to p-type behavior. A maximum Seebeck coefficient of +230 {mu}V/K (350 K) was obtained for NiTi{sub 0.26}Sc{sub 0.04}Zr{sub 0.35}Hf{sub 0.35}Sn. HAXPES valence band measurement show massive in gap states for the parent compounds NiTiSn, CoTiSb and NiTi{sub 0.3}Zr{sub 0.35}Hf{sub 0.35}Sn. This proves that the electronic states close to the Fermi energy play a key role for the behavior of the transport properties. Furthermore, the electronic structure of the gapless Heusler compounds PtYSb, PtLaBi and PtLuSb were investigated by bulk

  11. Structure and properties of quarternary and tetragonal Heusler compounds for spintronics and spin transver torque applications

    Energy Technology Data Exchange (ETDEWEB)

    Zamani, Vajiheh Alijani

    2012-03-07

    This work is divided into two parts: part 1 is focused on the prediction of half-metallicity in quaternary Heusler compounds and their potential for spintronic applications and part 2 on the structural properties of Mn{sub 2}-based Heusler alloys and tuning the magnetism of them from soft to hard-magnetic for spin-transfer torque applications. In part 1, three different series of quaternary Heusler compounds are investigated, XX'MnGa (X=Cu, Ni and X'=Fe,Co), CoFeMnZ (Z=Al,Ga,Si,Ge), and Co{sub 2-x}Rh{sub x}MnZ (Z=Ga,Sn,Sb). All of these quaternary compounds except CuCoMnGa are predicted to be half-metallic ferromagnets by ab-initio electronic structure calculations. In the XX'MnGa class of compounds, NiFeMnGa has a low Curie temperature for technological applications but NiCoMnGa with a high spin polarization, magnetic moment, and Curie temperature is an interesting new material for spintronics applications. All CoFeMnZ compounds exhibit a cubic Heusler structur and their magnetic moments are in fair agreement with the Slater-Pauling rule indicating the halfmetallicity and high spin polarization required for spintronics applications. Their high Curie temperatures make them suitable for utilization at room temperature and above. The structural investigation revealed that the crystal structure of all Co{sub 2-x}Rh{sub x}MnZ compounds aside from CoRhMnSn exhibit different types of anti-site disorder. The magnetic moments of the disordered compounds deviate from the Slater-Pauling rule indicating that 100% spin polarization are not realized in CoRhMnGa, CoRhMnSb, and Co{sub 0.5}Rh{sub 1.5}MnSb. Exchange of one Co in Co{sub 2}MnSn by Rh results in the stable, well-ordered compound CoRhMnSn. This exchange of one of the magnetic Co atoms by a non-magnetic Rh atom keeps the magnetic properties and half-metallicity intact. In part 2, two series of Mn{sub 2}-based Heusler alloys are investigated, Mn{sub 3-x}Co{sub x}Ga and Mn{sub 2-x}Rh{sub 1+x}Sn. It has been

  12. Band structure of Heusler compounds studied by photoemission and tunneling spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Arbelo Jorge, Elena

    2011-07-01

    Heusler compounds are key materials for spintronic applications. They have attracted a lot of interest due to their half-metallic properties predicted by band structure calculations. The aim of this work is to evaluate experimentally the validity of the predictions of half metallicity by band structure calculations for two specific Heusler compounds, Co{sub 2}FeAl{sub 0.3}Si{sub 0.7} and Co{sub 2}MnGa. Two different spectroscopy methods for the analysis of the electronic properties were used: Angular Resolved Ultraviolet Photoemission Spectroscopy (ARUPS) and Tunneling Spectroscopy. Heusler compounds are prepared as thin films by RF-sputtering in an ultra high vacuum system. For the characterization of the samples, bulk and surface crystallographic and magnetic properties of Co{sub 2}FeAl{sub 0.3}Si{sub 0.7} and Co{sub 2}MnGa are studied. X-ray and electron diffraction reveal a bulk and surface crossover between two different types of sublattice order (from B2 to L2{sub 1}) with increasing annealing temperature. X-ray magnetic circular dichroism results show that the magnetic properties in the surface and bulk are identical, although the magnetic moments obtained are 5 % below from the theoretically predicted. By ARUPS evidence for the validity of the predicted total bulk density of states (DOS) was demonstrated for both Heusler compounds. Additional ARUPS intensity contributions close to the Fermi energy indicates the presence of a specific surface DOS. Moreover, it is demonstrated that the crystallographic order, controlled by annealing, plays an important role on broadening effects of DOS features. Improving order resulted in better defined ARUPS features. Tunneling magnetoresistance measurements of Co{sub 2}FeAl{sub 0.3}Si{sub 0.7} and Co{sub 2}MnGa based MTJ's result in a Co{sub 2}FeAl{sub 0.3}Si{sub 0.7} spin polarization of 44 %, which is the highest experimentally obtained value for this compound, although it is lower than the 100 % predicted. For Co

  13. Search for thermoelectrics with high figure of merit in half-Heusler compounds with multinary substitution

    Science.gov (United States)

    Choudhary, Mukesh K.; Ravindran, P.

    2018-04-01

    In order to improve the thermoelectric performance of TiCoSb we have substituted 50% of Ti equally with Zr and Hf at Ti site and Sb with Sn and Se equally at Sb site. The electronic structure of Ti0.5Zr0.25Hf0.25CoSn0.5Se0.5 is investigated using the full potential linearized augmented plane wave method and the thermoelectric transport properties are calculated on the basis of semi-classical Boltzmann transport theory. Our band structure calculations show that Ti0.5Zr0.25Hf0.25CoSn0.5Se0.5 has semiconducting behavior with indirect band gap value of 0.98 eV which follow the empirical rule of 18 valence-electron content to bring semiconductivity in half Heusler compounds, indicating that one can have semiconducting behavior in multinary phase of half Heusler compounds if they full fill the 18 VEC rule and this open-up the possibility of designing thermoelectrics with high figure of merit in half Heusler compounds. We show that at high temperature of around 700K Ti0.5Zr0.25Hf0.25CoSn0.5Se0.5 has high thermoelectric figure of merit of ZT = 1.05 which is higher than that of TiCoSb (˜ 0.95) suggesting that by going from ternary to multinary phase system one can enhance the thermoelectric figure of merit at higher temperatures.

  14. Unconventional superconductivity and surface pairing symmetry in half-Heusler compounds

    Science.gov (United States)

    Wang, Qing-Ze; Yu, Jiabin; Liu, Chao-Xing

    2018-06-01

    Signatures of nodal line/point superconductivity [Kim et al., Sci. Adv. 4, eaao4513 (2018), 10.1126/sciadv.aao4513; Brydon et al., Phys. Rev. Lett. 116, 177001 (2016), 10.1103/PhysRevLett.116.177001] have been observed in half-Heusler compounds, such as LnPtBi (Ln = Y, Lu). Topologically nontrivial band structures, as well as topological surface states, have also been confirmed by angular-resolved photoemission spectroscopy in these compounds [Liu et al., Nat. Commun. 7, 12924 (2016), 10.1038/ncomms12924]. In this paper, we present a systematical classification of possible gap functions of bulk states and surface states in half-Heusler compounds and the corresponding topological properties based on the representations of crystalline symmetry group. Different from all the previous studies based on the four band Luttinger model, our study starts with the six-band Kane model, which involves both four p-orbital type of Γ8 bands and two s-orbital type of Γ6 bands. Although the Γ6 bands are away from the Fermi energy, our results reveal the importance of topological surface states, which originate from the band inversion between Γ6 and Γ8 bands, in determining surface properties of these compounds in the superconducting regime by combining topological bulk state picture and nontrivial surface state picture.

  15. Investigation of thermoelectricity in KScSn half-Heusler compound

    Science.gov (United States)

    Shrivastava, Deepika; Acharya, Nikita; Sanyal, Sankar P.

    2018-05-01

    The electronic and transport properties of KScSn half-Heusler (HH) compound have been investigated using first-principles density functional theory and semi classical Boltzmann transport theory. The electronic band structure and density of states (total and partial) show semiconducting nature of KScSn with band gap 0.48 eV which agree well with previously reported results. The transport coefficient such as electrical conductivity, Seebeck coefficient, electronic thermal conductivity and power factor as a function of chemical potential are evaluated. KScSn has high power factor for p-type doping and is a potential candidate for thermoelectric applications.

  16. Electronic structure and physical properties of Heusler compounds for thermoelectric and spintronic applications

    International Nuclear Information System (INIS)

    Ouardi, Siham

    2012-01-01

    This thesis focuses on synthesis as well as investigations of the electronic structure and properties of Heusler compounds for spintronic and thermoelectric applications. The first part reports on the electronic and crystal structure as well as the mechanical, magnetic, and transport properties of the polycrystalline Heusler compound Co 2 MnGe. The crystalline structure was examined in detail by extended X-ray absorption fine structure spectroscopy and anomalous X-ray diffraction. The low-temperature magnetic moment agrees well with the Slater-Pauling rule and indicates a half-metallic ferromagnetic state of the compound, as is predicted by ab-initio calculations. Transport measurements and hard X-ray photoelectron spectroscopy (HAXPES) were performed to explain the electronic structure of the compound. A major part of the thesis deals with a systematical investigation of Heusler compounds for thermoelectric applications. This thesis focuses on the search for new p-type Heusler compounds with high thermoelectric efficiency. The substitutional series NiTi 1-x M x Sn (where M=Sc, V and 0 0.26 Sc 0.04 Zr 0.35 Hf 0.35 Sn. HAXPES valence band measurement show massive in gap states for the parent compounds NiTiSn, CoTiSb and NiTi 0.3 Zr 0.35 Hf 0.35 Sn. This proves that the electronic states close to the Fermi energy play a key role for the behavior of the transport properties. Furthermore, the electronic structure of the gapless Heusler compounds PtYSb, PtLaBi and PtLuSb were investigated by bulk sensitive HAXPES. The linear behavior of the spectra close to εF proves the bulk origin of Dirac-cone type density of states. Furthermore, a systematic study on the optical and transport properties of PtYSb is presented. The compound exhibits promising thermoelectric properties with a high figure of merit (ZT=0.2) and a Hall mobility μh of 300 cm 2 /Vs at 350 K. The last part of this thesis describes the linear dichroism in angular-resolved photoemission from the valence band

  17. Synthesis and Thermoelectric Properties of Ni-Doped ZrCoSb Half-Heusler Compounds

    Directory of Open Access Journals (Sweden)

    Degang Zhao

    2018-01-01

    Full Text Available The Ni-doped ZrCo1−xNixSb half-Heusler compounds were prepared by arc-melting and spark plasma sintering technology. X-ray diffraction analysis results showed that all samples were crystallized in a half-Heusler phase. Thermoelectric properties of ZrCo1−xNixSb compounds were measured from room temperature to 850 K. The electrical conductivity and the absolute value of Seebeck coefficient increased with the Ni-doping content increasing due to the Ni substitution at Co. sites. The lattice thermal conductivity of ZrCo1−xNixSb samples was depressed dramatically because of the acoustic phonon scattering and point defect scattering. The figure of merit of ZrCo1−xNixSb compounds was improved due to the decreased thermal conductivity and improved power factor. The maximum ZT value of 0.24 was achieved for ZrCo0.92Ni0.08Sb sample at 850 K.

  18. NMR Evidence for the Topologically Nontrivial Nature in a Family of Half-Heusler Compounds

    KAUST Repository

    Zhang, Xiaoming

    2016-03-16

    Spin-orbit coupling (SOC) is expected to partly determine the topologically nontrivial electronic structure of heavy half-Heusler ternary compounds. However, to date, attempts to experimentally observe either the strength of SOC or how it modifies the bulk band structure have been unsuccessful. By using bulk-sensitive nuclear magnetic resonance (NMR) spectroscopy combined with first-principles calculations, we reveal that 209Bi NMR isotropic shifts scale with relativity in terms of the strength of SOC and average atomic numbers, indicating strong relativistic effects on NMR parameters. According to first-principles calculations, we further claim that nuclear magnetic shieldings from relativistic p1/2 states and paramagnetic contributions from low-lying unoccupied p3/2 states are both sensitive to the details of band structures tuned by relativity, which explains why the hidden relativistic effects on band structure can be revealed by 209Bi NMR isotropic shifts in topologically nontrivial half-Heusler compounds. Used in complement to surface-sensitive methods, such as angle resolved photon electron spectroscopy and scanning tunneling spectroscopy, NMR can provide valuable information on bulk electronic states.

  19. NMR Evidence for the Topologically Nontrivial Nature in a Family of Half-Heusler Compounds

    KAUST Repository

    Zhang, Xiaoming; Hou, Zhipeng; Wang, Yue; Xu, Guizhou; Shi, Chenglong; Liu, EnKe; Xi, Xuekui; Wang, Wenhong; Wu, Guangheng; Zhang, Xixiang

    2016-01-01

    Spin-orbit coupling (SOC) is expected to partly determine the topologically nontrivial electronic structure of heavy half-Heusler ternary compounds. However, to date, attempts to experimentally observe either the strength of SOC or how it modifies the bulk band structure have been unsuccessful. By using bulk-sensitive nuclear magnetic resonance (NMR) spectroscopy combined with first-principles calculations, we reveal that 209Bi NMR isotropic shifts scale with relativity in terms of the strength of SOC and average atomic numbers, indicating strong relativistic effects on NMR parameters. According to first-principles calculations, we further claim that nuclear magnetic shieldings from relativistic p1/2 states and paramagnetic contributions from low-lying unoccupied p3/2 states are both sensitive to the details of band structures tuned by relativity, which explains why the hidden relativistic effects on band structure can be revealed by 209Bi NMR isotropic shifts in topologically nontrivial half-Heusler compounds. Used in complement to surface-sensitive methods, such as angle resolved photon electron spectroscopy and scanning tunneling spectroscopy, NMR can provide valuable information on bulk electronic states.

  20. Electronic, phonon and superconducting properties of LaPtBi half-Heusler compound

    Science.gov (United States)

    Shrivastava, Deepika; Sanyal, Sankar P.

    2018-05-01

    In the framework of density functional theory based on plane wave pseudopotential method and linear response technique, we have studied the electronic, phonon and superconducting properties of LaPtBi half-Heusler compound. The electronic band structure and density of states show that it is gapless semiconductor which is consistent with previous results. The positive phonon frequencies confirm the stability of this compound in cubic MgAgAs phase. Superconductivity is studied in terms of Eliashberg spectral function (α2F(ω)), electron-phonon coupling constants (λ). The value of electron-phonon coupling parameter is found to be 0.41 and the superconducting transition temperature is calculated to be 0.76 K, in excellent agreement with the experimentally reported values.

  1. Design of thermoelectrically highly efficient Heusler compounds using phase separations and nano-composites under an economic point of view

    Science.gov (United States)

    Balke, Benjamin

    Half-Heusler (HH) compounds are one of the most promising candidates for thermoelectric materials for automotive and industrial waste heat recovery applications. In this talk, I will give an overview about our recent investigations of phase separations in HH thermoelectrics, focusing on the ternary system TiNiSn-ZrNiSn-HfNiSn. I will show how we adapted this knowledge to design a p-type HH compound which exhibits a ZT that is increased by 130% compared to the best published bulk p-type Heusler. I will also present how we used the phase separation to design thermoelectric highly efficient nano-composites of different single-phase materials. Since the price for Hafnium doubled within the last year, our research focused on the design of HH compounds without Hafnium. I will present a very recent calculation on ZT per Euro and efficiency per Euro for various materials followed by our latest very promising results for n-type Heusler compunds without Hafnium resulting in 20 times higher ZT/Euro values. These results strongly underline the importance of phase separations as a powerful tool for designing highly efficient materials for thermoelectric applications that fulfill the industrial demands for a thermoelectric converter. The author gratefully acknowledges financial support by the thermoHEUSLER2 Project (Project No. 19U15006F) of the German Federal Ministry of Economics and Technology (BMWi).

  2. The effect of a fourth element (Co, Cu, Fe, Pd) on the standard enthalpy of formation of the Heusler compound Ni{sub 2}MnSn

    Energy Technology Data Exchange (ETDEWEB)

    Yin, Ming, E-mail: myin1@hawk.iit.edu; Nash, Philip

    2016-05-15

    The standard enthalpies of formation of quaternary Heusler compounds (X, Ni){sub 2}MnSn (X = Co, Cu, Fe, Pd) were investigated experimentally using high temperature direct reaction calorimetry. Lattice parameters of these compounds were determined using X-ray diffraction analysis. Microstructures were identified using scanning electron microscopy and energy dispersive spectroscopy. The effect of an additional X element on the standard enthalpy of formation of the Heusler compound Ni{sub 2}MnSn is discussed. - Highlights: • Enthalpies of formation of (X,Ni){sub 2}YZ (X = Co, Cu, Fe, Pd) were measured by drop calorimeters. • Magnetic contribution to enthalpy of formation plays an important role. • Introducing a fourth element could stabilize an unstable Heusler structure. • Lattice parameters do not necessarily obey the Vegard's law. • It is possible to tailor properties of Heusler compounds with enough background information.

  3. Transport properties of Heusler Compound Mn3Si under high pressure

    International Nuclear Information System (INIS)

    Takaesu, Y; Uchima, K; Nakamura, S; Yogi, M; Niki, H; Hedo, M; Nakama, T; Tomiyoshi, S

    2014-01-01

    The electrical resistivity ρ and the thermopower S of the single crystalline sample of the Heusler compound Mn 3 Si have been measured in the temperature range between 2 and 300 K under high pressures up to 2.2 GPa. The temperature variations of ρ and S indicate the characteristic features at the Néel temperature T N . An additional anomaly in S(T), related to the 3Q satellites in SDW, is observed at P > 1 GPa, and it disappears at P > 1 GPa. The Néel temperature, obtained from ρ(T) and S(T) curves, increases with increasing pressure. The pressure dependences of the residual resistivity and the thermopower at T = 2 K show the discontinuous changes at P ≈ 1 GPa, indicating a pressure induced phase transition

  4. NMR studies in the half-Heusler type compound YbPtSb

    Energy Technology Data Exchange (ETDEWEB)

    Koyama, T; Abe, M; Mito, T; Ueda, K; Kohara, T [Graduate School of Material Science, University of Hyogo, Kamigori, Hyogo 678-1297 (Japan); Suzuki, H S, E-mail: t-koyama@sci.u-hyogo.ac.jp [National Institute for Materials Science, Tsukuba 305-0047 (Japan)

    2011-01-01

    {sup 121}Sb and {sup 19B}Pt nuclear magnetic resonance (NMR) has been studied in the half-Heusler type compound YbPtSb to obtain information on local magnetic behavior. The characteristics of the localized 4f spins are observed in the Cuire-Weiss type behavior of the Knight shifts K for both {sup 121}Sb and {sup 19B}Pt. From the slope of K-{sub {chi}} plots we estimated hyperfine coupling constants of -3.8 and -4.6 kOe/{mu}{sub B} at Sb and Pt sites, respectively. It was found that the spin-echo decay rate 1/T{sub 2} of {sup 121}Sb shows a clear peaks at 10 K. Similar tendency was also observed in case of {sup 19B}Pt. However, static properties do not show any anomalies near 10 K.

  5. Properties of half-Heusler compounds TaIrGe by using first-principles calculations

    Energy Technology Data Exchange (ETDEWEB)

    Wei, JunHong [Henan Normal University, College of Physics and Information Engineering, Xinxiang, Henan (China); Henan Institute of Science and Technology, School of Mechanical and Electrical Engineering, Xinxiang, Henan (China); Wang, Guangtao [Henan Normal University, College of Physics and Information Engineering, Xinxiang, Henan (China)

    2017-05-15

    The electronic structures, optical and thermoelectric properties of ternary half-Heusler compound TaIrGe were investigated by using the first-principles and Boltzmann transport theory. Spin-orbit coupling (SOC) removed the degeneracy of VBM, and then decreased the Seebeck coefficients and power factor. From the compressive to tensile strain, the band gap gradually increases from 0.96 to 1.11 eV, accompanied by the absorption coefficient peak red-shift. The effective mass (m{sup *}{sub DOS}) of VBM and CBM gradually increases from the compressive to tensile strain, which enhances the Seebeck coefficient and power factor. Our results indicate that the electronic structures, optical and thermoelectric properties of TaIrGe can be effectively tuned by the strain and TaIrGe can be used as an important photoelectric and thermoelectric material in the future. (orig.)

  6. Heat capacities of several Co{sub 2}YZ Heusler compounds

    Energy Technology Data Exchange (ETDEWEB)

    Yin, Ming, E-mail: myin1@hawk.iit.edu; Nash, Philip; Chen, Song

    2013-12-20

    Highlights: • Heat contents from 600 K to 1500 K of selected Co{sub 2}YZ were measured by drop calorimeters. • Heat capacities were obtained by taking derivatives of heats contents which were fitted with second order polynomial with respect to temperature. • Melting points determined by DSC were consistent with literature data. • Heats of fusion determined by DSC were comparable with those obtained by extrapolation of heat contents. - Abstract: Heat contents of several Co{sub 2}-based Heusler compounds Co{sub 2}YZ (Y = Fe, Mn, Ti; Z = Al, Ga, Si, Ge, Sn) were measured from 500 K to 1500 K using a Setaram MTHC 96 drop calorimeter. Second order polynomials were adopted to fit the data and heat capacities were obtained by taking the derivatives with respect to temperature. Melting points were determined by differential scanning calorimetry (DSC) and measured heats of fusion were compared with those obtained from extrapolation of heat contents.

  7. Standard enthalpies of formation of selected Ru{sub 2}YZ Heusler compounds

    Energy Technology Data Exchange (ETDEWEB)

    Yin, Ming, E-mail: myin1@hawk.iit.edu; Nash, Philip

    2015-06-15

    Highlights: • Standard enthalpies of formation of Ru{sub 2}YZ were measured using a drop calorimeter. • Result of L2{sub 1} structured compounds agrees with first principles data. • Lattice parameters and related phase relationships were consistent with literature data. • Ru{sub 2}HfSn, Ru{sub 2}TiSn, Ru{sub 2}VGa, Ru{sub 2}VSi, Ru{sub 2}VSn of L2{sub 1} structure were reported for the first time. - Abstract: The standard enthalpies of formation of selected ternary Ru-based Heusler compounds Ru{sub 2}YZ (Y = Fe, Hf, Mn, Ti, V; Z = Al, Ga, In, Si, Ge, Sn) were measured using high temperature direct reaction calorimetry. The measured enthalpies of formation (in kJ/mole of atoms) of the Heusler compounds are, Ru{sub 2}FeGe (−19.7 ± 3.3); Ru{sub 2}HfSn (−24.9 ± 3.6); Ru{sub 2}MnSi (−46.0 ± 2.6); Ru{sub 2}MnGe (−29.7 ± 1.0); Ru{sub 2}MnSn (−20.6 ± 2.4); Ru{sub 2}TiSi (−94.9 ± 4.0); Ru{sub 2}TiGe (−79.1 ± 3.2); Ru{sub 2}TiSn (−60.6 ± 1.8); Ru{sub 2}VSi (−55.9 ± 1.7);for the B2-structured compounds, Ru{sub 2}FeSi (−28.5 ± 0.8); Ru{sub 2}HfAl (−70.8 ± 1.9); Ru{sub 2}MnAl (−32.3 ± 1.9); Ru{sub 2}MnGa (−25.3 ± 3.0); Ru{sub 2}TiAl (−62.7 ± 3.5); Ru{sub 2}VAl (−30.9 ± 1.6); Ru{sub 2}ZrAl (−64.5 ± 1.5). Values were compared with those from published first principles calculations and the OQMD (Open Quantum Materials Database). Lattice parameters of these compounds were determined using X-ray diffraction analysis (XRD). Microstructures were identified using scanning electron microscopy (SEM) and Energy Dispersive Spectroscopy (EDS)

  8. Electronic structure, magnetism and disorder in the Heusler compound Co2TiSn

    International Nuclear Information System (INIS)

    Kandpal, Hem Chandra; Ksenofontov, Vadim; Wojcik, Marek; Seshadri, Ram; Felser, Claudia

    2007-01-01

    Polycrystalline samples of the Heusler compound Co 2 TiSn have been prepared and studied using bulk techniques (x-ray diffraction and magnetization) as well as local probes ( 119 Sn Moessbauer spectroscopy and 59 Co nuclear magnetic resonance spectroscopy) in order to determine how disorder affects the half-metallic behaviour and also to establish the joint use of Moessbauer and NMR spectroscopies as a quantitative probe of local atom ordering in these compounds. Additionally, density functional electronic structure calculations on ordered and partially disordered Co 2 TiSn compounds have been carried out at a number of different levels of theory in order to simultaneously understand how the particular choice of DFT scheme as well as disorder affects the computed magnetization. Our studies suggest that a sample which seems well ordered by x-ray diffraction and magnetization measurements can possess up to 10% of antisite (Co/Ti) disordering. Computations similarly suggest that even 12.5% antisite Co/Ti disorder does not destroy the half-metallic character of this material. However, the use of an appropriate level of non-local DFT is crucial

  9. μSR and NMR study of the superconducting Heusler compound YPd2Sn

    Science.gov (United States)

    Saadaoui, H.; Shiroka, T.; Amato, A.; Baines, C.; Luetkens, H.; Pomjakushina, E.; Pomjakushin, V.; Mesot, J.; Pikulski, M.; Morenzoni, E.

    2013-09-01

    We report on muon-spin rotation and relaxation (μSR) and 119Sn nuclear magnetic resonance (NMR) measurements to study the microscopic superconducting and magnetic properties of the Heusler compound with the highest superconducting transition temperature, YPd2Sn (Tc=5.4 K). Measurements in the vortex state provide the temperature dependence of the effective magnetic penetration depth λ(T) and the field dependence of the superconducting gap Δ(0). The results are consistent with a very dirty s-wave BCS superconductor with a gap Δ(0)=0.85(3) meV, λ(0)=212(1) nm, and a Ginzburg-Landau coherence length ξGL(0)≅23 nm. In spite of its very dirty character, the effective density of condensed charge carriers is high compared to that in the normal state. The μSR data in a broad range of applied fields are well reproduced by taking into account a field-related reduction of the effective superconducting gap. Zero-field μSR measurements, sensitive to the possible presence of very small magnetic moments, do not show any indications of magnetism in this compound.

  10. Standard enthalpies of formation of selected Rh2YZ Heusler compounds

    International Nuclear Information System (INIS)

    Yin, Ming; Nash, Philip

    2015-01-01

    The standard enthalpies of formation (Δ f H°) of selected ternary Rh-based Rh 2 YZ (Y = Cu, Fe, Mn, Ni, Ru, Ti, V; Z = Al, Ga, In, Si, Ge, Sn) compounds were measured using high temperature direct reaction calorimetry. The measured standard enthalpies of formation (in kJ/mol of atoms) are, for the Heusler compound Rh 2 MnSn (−40.1 ± 3.6), for the B2-structured compounds: Rh 2 FeAl (−48.5 ± 2.9); Rh 2 MnAl (−72.4 ± 2.7); Rh 2 MnGa (−55.3 ± 2.0); Rh 2 MnIn (−35.3 ± 1.9), for the tetragonal compounds: Rh 2 FeSn (−28.9 ± 1.3); Rh 2 TiAl (−97.6 ± 2.2); Rh 2 TiGa (−79.0 ± 1.8); Rh 2 TiSn (−74.7 ± 3.1). Values are compared with those from first principles calculations in published papers and the Open Quantum Materials Database (OQMD). Lattice parameters of these compounds are determined using X-ray diffraction analysis (XRD). Microstructures were characterized using scanning electron microscopy (SEM) and Energy Dispersive Spectroscopy (EDS). - Highlights: • Standard enthalpies of formation of Rh 2 YZ were measured using a drop calorimeter. • Measured enthalpies agree with first principles data in general. • Lattice parameters and related phase relationships were consistent with literature data. • Rh 2 TiSn of tI8 structure were reported for the first time.

  11. Standard enthalpies of formation of selected Rh{sub 2}YZ Heusler compounds

    Energy Technology Data Exchange (ETDEWEB)

    Yin, Ming, E-mail: myin1@hawk.iit.edu; Nash, Philip

    2015-11-25

    The standard enthalpies of formation (Δ{sub f}H°) of selected ternary Rh-based Rh{sub 2}YZ (Y = Cu, Fe, Mn, Ni, Ru, Ti, V; Z = Al, Ga, In, Si, Ge, Sn) compounds were measured using high temperature direct reaction calorimetry. The measured standard enthalpies of formation (in kJ/mol of atoms) are, for the Heusler compound Rh{sub 2}MnSn (−40.1 ± 3.6), for the B2-structured compounds: Rh{sub 2}FeAl (−48.5 ± 2.9); Rh{sub 2}MnAl (−72.4 ± 2.7); Rh{sub 2}MnGa (−55.3 ± 2.0); Rh{sub 2}MnIn (−35.3 ± 1.9), for the tetragonal compounds: Rh{sub 2}FeSn (−28.9 ± 1.3); Rh{sub 2}TiAl (−97.6 ± 2.2); Rh{sub 2}TiGa (−79.0 ± 1.8); Rh{sub 2}TiSn (−74.7 ± 3.1). Values are compared with those from first principles calculations in published papers and the Open Quantum Materials Database (OQMD). Lattice parameters of these compounds are determined using X-ray diffraction analysis (XRD). Microstructures were characterized using scanning electron microscopy (SEM) and Energy Dispersive Spectroscopy (EDS). - Highlights: • Standard enthalpies of formation of Rh{sub 2}YZ were measured using a drop calorimeter. • Measured enthalpies agree with first principles data in general. • Lattice parameters and related phase relationships were consistent with literature data. • Rh{sub 2}TiSn of tI8 structure were reported for the first time.

  12. Impact of local order and stoichiometry on the ultrafast magnetization dynamics of Heusler compounds

    International Nuclear Information System (INIS)

    Steil, Daniel; Schmitt, Oliver; Fetzer, Roman; Aeschlimann, Martin; Cinchetti, Mirko; Kubota, Takahide; Naganuma, Hiroshi; Oogane, Mikihiko; Ando, Yasuo; Rodan, Steven; Blum, Christian G F; Wurmehl, Sabine; Balke, Benjamin

    2015-01-01

    Nowadays, a wealth of information on ultrafast magnetization dynamics of thin ferromagnetic films exists in the literature. Information is, however, scarce on bulk single crystals, which may be especially important for the case of multi-sublattice systems. In Heusler compounds, representing prominent examples for such multi-sublattice systems, off-stoichiometry and degree of order can significantly change the magnetic properties of thin films, while bulk single crystals may be generally produced with a much more well-defined stoichiometry and a higher degree of ordering. A careful characterization of the local structure of thin films versus bulk single crystals combined with ultrafast demagnetization studies can, thus, help to understand the impact of stoichiometry and order on ultrafast spin dynamics.Here, we present a comparative study of the structural ordering and magnetization dynamics for thin films and bulk single crystals of the family of Heusler alloys with composition Co 2 Fe 1 − x Mn x Si. The local ordering is studied by 59 Co nuclear magnetic resonance (NMR) spectroscopy, while the time-resolved magneto-optical Kerr effect gives access to the ultrafast magnetization dynamics. In the NMR studies we find significant differences between bulk single crystals and thin films, both regarding local ordering and stoichiometry. The ultrafast magnetization dynamics, on the other hand, turns out to be mostly unaffected by the observed structural differences, especially on the time scale of some hundreds of femtoseconds. These results confirm hole-mediated spin-flip processes as the main mechanism for ultrafast demagnetization and the robustness of this demagnetization channel against defect states in the minority band gap as well as against the energetic position of the band gap with respect to the Fermi energy. The very small differences observed in the magnetization dynamics on the picosecond time-scale, on the other hand, can be explained by considering the

  13. Observation of strong ferromagnetism in the half-Heusler compound CoTiSb system

    Energy Technology Data Exchange (ETDEWEB)

    Sedeek, K., E-mail: KamiliaSedeek@yahoo.com; Hantour, H.; Makram, N.; Said, Sh. A.

    2016-06-01

    Strong ferromagnetism has been detected in the semiconducting half-Heusler CoTiSb compound. The synthesis process was carried out by direct fusion of highly pure Co, Ti, and Sb in an evacuated quartz tube. The structural, micro structural and magnetic properties were investigated. The crystal structure was refined from X-ray powder diffraction data by the Rietveld method. Applying the search match program, three nano-crystalline phases of CoTiSb, Ti{sub 3}Sb and CoTi{sub 2} (50%, 33.3% and 16.7% respectively) were identified for the prepared system. The term “phase” is used to address the co-existence of different stable chemical composition for the same half-Heusler alloy. The scanning electron microscope SEM and the high resolution transmission electron microscope HR-TEM were applied to characterize the morphology, size, shape, crystallinity and lattice spacing. A mixture of ordered and disordered arrangement was detected. Well defined nano-crystalline structure with an average interatomic distance equals 0.333 nm and sharp diffraction spots were measured. Contrary to this, the HR-TEM and electron diffraction image shows distorted structured planes and smeared halo surrounded by weak rings. Thermo-magnetic measurements (M–T) have been measured between 640 °K and 920 °K. Clear magnetic phase transition is detected above 900 °K (T{sub c}), in addition to a second possible phase transition (T{sub FF}) around 740 °K. The latter is clarified by plotting ΔM/ΔT vs. T. To determine the type of the detected phase transitions, the field dependence of magnetization was measured at 300 °K and 740 °K. Arrot plots (M{sup 2}−H/M) confirm the ferromagnetic character at both temperatures. It may be reasonable to assume the T{sub FF} transition as an additional ferromagnetic contribution stemming from some sort of exchange interactions. A tentative magnetic phase diagram is given. Overall, the present results suggest that the prepared multiphases CoTiSb system does

  14. Enthalpies of formation of selected Co{sub 2}YZ Heusler compounds

    Energy Technology Data Exchange (ETDEWEB)

    Yin, Ming, E-mail: myin1@hawk.iit.edu; Chen, Song; Nash, Philip

    2013-11-15

    Highlights: •Enthalpies of formation of selected Co{sub 2}YZ were measured by drop calorimeters. •Enthalpy decreases as the Z element approaches the top right corner of the periodic table. •For the Y element, enthalpy increases on increasing the number of d electrons. •Result of L2{sub 1} structured compounds agrees with first principles data. •Lattice parameters and related phase relationships were consistent with literature data. -- Abstract: Standard enthalpies of formation at 298 K of selected ternary Co{sub 2}-based Heusler compounds Co{sub 2}YZ (Y = Fe, Hf, Mn, Ti, V, Zr; Z = Al, Ga, In, Si, Ge, Sn) were measured by high temperature direct synthesis calorimetry. The measured enthalpies of formation (in kJ/mole of atoms) of the L2{sub 1} compounds are: Co{sub 2}FeGa (−25.8 ± 2.6); Co{sub 2}FeSi (−38.4 ± 2.2); Co{sub 2}FeGe (−11.6 ± 2.1); Co{sub 2}MnGa (−30.1 ± 2.3); Co{sub 2}MnSi (−42.4 ± 1.2); Co{sub 2}MnGe (−31.6 ± 3.0); Co{sub 2}MnSn (−15.6 ± 2.8); Co{sub 2}TiAl (−55.0 ± 3.7); Co{sub 2}TiGa (−54.2 ± 2.6); Co{sub 2}TiSi (−61.4 ± 1.7); Co{sub 2}TiGe (−59.3 ± 3.8); Co{sub 2}TiSn (−38.4 ± 2.0); Co{sub 2}VGa (−28.4 ± 1.1) and for the B2 compounds: Co{sub 2}FeAl (−22.5 ± 2.5), Co{sub 2}MnAl (−27.6 ± 2.7). Values are compared with those from first principles calculation when available and the extended semi-empirical model of Miedema. Trends in enthalpy of formation with element atomic number are discussed. Lattice parameters of the compounds with L2{sub 1} structure are determined by X-ray diffraction analysis.

  15. Influence of defects and disorder on anomalous Hall effect and spin Seebeck effect on permalloy and Heusler compounds

    Energy Technology Data Exchange (ETDEWEB)

    Vilanova Vidal, Enrique

    2012-09-19

    In this work Heusler thin films have been prepared and their transport properties have been studied. Of particularly interest is the anomalous Hall effect (AHE). The effect is a long known but still not fully understood transport effect. Most theory papers focus on the influence of one particular contribution to the AHE. Actual measured experimental data, however, often are not in accordance with idealized assumptions. This thesis discusses the data analysis for materials with low residual resistivity ratios. As prototypical materials, half metallic Heusler compounds are studied. Here, the influence of defects and disorder is apparent in a material with a complex topology of the Fermi surface. Using films with different degrees of disorder, the different scattering mechanisms can be separated. For Co{sub 2}FeSi{sub 0.6}Al{sub 0.4} and Co{sub 2}FeGa{sub 0.5}Ge{sub 0.5}, the AHE induced by B2-type disorder and temperature-dependent scattering is positive, while DO{sub 3}-type disorder and possible intrinsic contributions possess a negative sign. For these compounds, magneto-optical Kerr effects (MOKE) are investigated. First order contributions as a function of intrinsic and extrinsic parameters are qualitatively analyzed. The relation between the crystalline ordering and the second order contributions to the MOKE signal is studied. In addition, sets of the Heusler compound Co{sub 2}MnAl thin films were grown on MgO(100) and Si(100) substrates by radio frequency magnetron sputtering. Composition, magnetic and transport properties were studied systematically for samples deposited at different conditions. In particular, the anomalous Hall effect resistivity presents an extraordinarily temperature independent behavior in a moderate magnetic field range from 0 to 0.6 T. The off-diagonal transport at temperatures up to 300 C was analyzed. The data show the suitability of the material for Hall sensors working well above room temperature. Recently, the spin Seebeck effect

  16. Simulation study of ballistic spin-MOSFET devices with ferromagnetic channels based on some Heusler and oxide compounds

    Science.gov (United States)

    Graziosi, Patrizio; Neophytou, Neophytos

    2018-02-01

    Newly emerged materials from the family of Heuslers and complex oxides exhibit finite bandgaps and ferromagnetic behavior with Curie temperatures much higher than even room temperature. In this work, using the semiclassical top-of-the-barrier FET model, we explore the operation of a spin-MOSFET that utilizes such ferromagnetic semiconductors as channel materials, in addition to ferromagnetic source/drain contacts. Such a device could retain the spin polarization of injected electrons in the channel, the loss of which limits the operation of traditional spin transistors with non-ferromagnetic channels. We examine the operation of four material systems that are currently considered some of the most prominent known ferromagnetic semiconductors: three Heusler-type alloys (Mn2CoAl, CrVZrAl, and CoVZrAl) and one from the oxide family (NiFe2O4). We describe their band structures by using data from DFT (Density Functional Theory) calculations. We investigate under which conditions high spin polarization and significant ION/IOFF ratio, two essential requirements for the spin-MOSFET operation, are both achieved. We show that these particular Heusler channels, in their bulk form, do not have adequate bandgap to provide high ION/IOFF ratios and have small magnetoconductance compared to state-of-the-art devices. However, with confinement into ultra-narrow sizes down to a few nanometers, and by engineering their spin dependent contact resistances, they could prove promising channel materials for the realization of spin-MOSFET transistor devices that offer combined logic and memory functionalities. Although the main compounds of interest in this paper are Mn2CoAl, CrVZrAl, CoVZrAl, and NiFe2O4 alone, we expect that the insight we provide is relevant to other classes of such materials as well.

  17. Dirac cone and pseudogapped density of states in the topological half-Heusler compound YPtBi

    Science.gov (United States)

    Kronenberg, A.; Braun, J.; Minár, J.; Elmers, H.-J.; Kutnyakhov, D.; Zaporozhchenko, A. V.; Wallauer, R.; Chernov, S.; Medjanik, K.; Schönhense, G.; Kläui, M.; Chadov, S.; Ebert, H.; Jourdan, M.

    2016-10-01

    Topological insulators (TIs) are exciting materials, which exhibit unprecedented properties, such as helical spin-momentum locking, which leads to large torques for magnetic switching and highly efficient spin current detection. Here we explore the compound YPtBi, an example from the class of half-Heusler materials, for which the typical band inversion of topological insulators was predicted. We prepared this material as thin films by conventional cosputtering from elementary targets. By in situ time-of-flight momentum microscopy, a Dirac conelike surface state with a Dirac point ≃300 meV below the Fermi energy was observed, in agreement with electronic structure-photoemission calculations. Only little additional spectral weight due to other states was observed at EF, which corroborates the identification of the topologically protected surface state and is highly relevant for spintronics applications.

  18. Growth and Electronic Structure of Heusler Compounds for Use in Electron Spin Based Devices

    Science.gov (United States)

    2015-06-01

    this procedure seemed to succeed, with the successful growth of PtLuSb films on GdSb. However, upon examination of x-ray diffrac- 55 tion data, it was...0.33, 0.66, and 1 were all grown as a series, in immediate succession without changing the Co or Si source temperatures so as to eliminate any...39(1):1–50, May 2011. doi:10.1016/j.progsolidstchem.2011.02.001. [3] F. Heusler, W. Starck, and E. Haupt. Uber magnetische manganlegierun- gen

  19. Termination layer compensated tunnelling magnetoresistance in ferrimagnetic Heusler compounds with high perpendicular magnetic anisotropy.

    Science.gov (United States)

    Jeong, Jaewoo; Ferrante, Yari; Faleev, Sergey V; Samant, Mahesh G; Felser, Claudia; Parkin, Stuart S P

    2016-01-18

    Although high-tunnelling spin polarization has been observed in soft, ferromagnetic, and predicted for hard, ferrimagnetic Heusler materials, there has been no experimental observation to date of high-tunnelling magnetoresistance in the latter. Here we report the preparation of highly textured, polycrystalline Mn3Ge films on amorphous substrates, with very high magnetic anisotropy fields exceeding 7 T, making them technologically relevant. However, the small and negative tunnelling magnetoresistance that we find is attributed to predominant tunnelling from the lower moment Mn-Ge termination layers that are oppositely magnetized to the higher moment Mn-Mn layers. The net spin polarization of the current reflects the different proportions of the two distinct termination layers and their associated tunnelling matrix elements that result from inevitable atomic scale roughness. We show that by engineering the spin polarization of the two termination layers to be of the same sign, even though these layers are oppositely magnetized, high-tunnelling magnetoresistance is possible.

  20. Magnetocaloric effect in “reduced” dimensions: Thin films, ribbons, and microwires of Heusler alloys and related compounds: Magnetocaloric effect in “reduced” dimensions

    Energy Technology Data Exchange (ETDEWEB)

    Khovaylo, Vladimir V. [National University of Science and Technology MISiS, Moscow 119049 Russia; ITMO University, St. Petersburg 197101 Russia; Rodionova, Valeria V. [National University of Science and Technology MISiS, Moscow 119049 Russia; Innovation Park and Institute of Physics & Technology, Immanuel Kant Baltic Federal University, Kaliningrad 236041 Russia; Shevyrtalov, Sergey N. [Innovation Park and Institute of Physics & Technology, Immanuel Kant Baltic Federal University, Kaliningrad 236041 Russia; Novosad, Val [Materials Science Division, Argonne National Laboratory, Argonne IL 60439 USA

    2014-08-19

    Room temperature magnetic refrigeration is an energy saving and environmentally-friendly technology which has developed rapidly from a basic idea to prototype devices. The performance of magnetic refrigerators crucially depends on the magnetocaloric properties and the geometry of the employed refrigerants. Here we review the magnetocaloric properties of Heusler alloys and related compounds with a high surface to volume ratio such as films, ribbons and microwires, and compare them with their bulk counterparts.

  1. Thermoelectric and Structural Properties of Zr-/Hf-Based Half-Heusler Compounds Produced at a Large Scale

    Science.gov (United States)

    Zillmann, D.; Waag, A.; Peiner, E.; Feyand, M.-H.; Wolyniec, A.

    2018-02-01

    The half-Heusler (HH) systems are promising candidates for thermoelectric (TE) applications since they have shown high figures of merit ( zT) of ˜ 1, which are directly related to the energy conversion efficiency. To use HH compounds for TE devices, the materials must be phase-stable at operating temperatures up to 600°C. Currently, only a few HH compositions are available in large quantities. Hence, we focus on the TE and structural properties of three commercially available Zr-/Hf-based HH compounds in this publication. In particular, we evaluate the thermal conductivities and the figures of merit and critically discuss uncertainties and propagation error in the measurements. We find thermal conductivities of less than 6.0 W K^{-1}m^{-1} for all investigated materials and notably high figures of merit of 0.93 and 0.60 for n- and p-type compounds, respectively, at 600°C. Additionally, our investigations reveal that the grain structures of all materials also contain secondary phases like HfO2, Sn-Ni and Ti-Zr-Sn rich phases while an additional SnO_2 phase was found following several hours of harsh heat treatment at 800°C.

  2. Rare earth-based quaternary Heusler compounds MCoVZ (M = Lu, Y; Z = Si, Ge with tunable band characteristics for potential spintronic applications

    Directory of Open Access Journals (Sweden)

    Xiaotian Wang

    2017-11-01

    Full Text Available Magnetic Heusler compounds (MHCs have recently attracted great attention since these types of material provide novel functionalities in spintronic and magneto-electronic devices. Among the MHCs, some compounds have been predicted to be spin-filter semiconductors [also called magnetic semiconductors (MSs], spin-gapless semiconductors (SGSs or half-metals (HMs. In this work, by means of first-principles calculations, it is demonstrated that rare earth-based equiatomic quaternary Heusler (EQH compounds with the formula MCoVZ (M = Lu, Y; Z = Si, Ge are new spin-filter semiconductors with total magnetic moments of 3 µB. Furthermore, under uniform strain, there are physical transitions from spin-filter semiconductor (MS → SGS → HM for EQH compounds with the formula LuCoVZ, and from HM → SGS → MS → SGS → HM for EQH compounds with the formula YCoVZ. Remarkably, for YCoVZ EQH compounds there are not only diverse physical transitions, but also different types of spin-gapless feature that can be observed with changing lattice constants. The structural stability of these four EQH compounds is also examined from the points of view of formation energy, cohesive energy and mechanical behaviour. This work is likely to inspire consideration of rare earth-based EQH compounds for application in future spintronic and magneto-electronic devices.

  3. Prospective high thermoelectric performance of the heavily p-doped half-Heusler compound CoVSn

    International Nuclear Information System (INIS)

    Shi, Hongliang; Ming, Wenmei; Parker, David S.; Du, Mao-Hua; Singh, David J.

    2017-01-01

    The electronic structure and transport properties of the half-Heusler compound CoVSn are studied in this paper systematically by combining first-principles electronic structure calculations and Boltzmann transport theory. The band structure at the valence-band edge is complex with multiple maxima derived from hybridized transition element d states. The result is a calculated thermopower larger than 200 μV /Κ within a wide range of doping concentrations and temperatures for heavily doped p-type CoVSn. The thermoelectric properties additionally benefit from the corrugated shapes of the hole pockets in our calculated isoenergy surfaces. Our calculated power factor S"2σ/τ (with respect to an average unknown scattering time) of CoVSn is comparable to that of FeNbSb. A smaller lattice thermal conductivity can be expected from the smaller group velocities of acoustical modes compared to FeNbSb. Finally, overall, good thermoelectric performance for CoVSn can be expected by considering the electronic transport and lattice thermal conductivity.

  4. First-principles study of half-metallic properties in RbCaNZ (Z = O, S, and Se) quaternary Heusler compounds

    Science.gov (United States)

    Rezaei, S.; Ahmadian, F.

    2018-06-01

    On the basis of first principles calculations, the electronic structures and magnetic properties of quaternary Heusler alloys RbCaNZ (Z = O, S, and Se) were studied. The negative formation energies indicated that all these compounds were thermodynamically stable and thus may be experimentally synthesized at appropriate conditions in the future. The results showed that YI structure was the most favorable configuration among the three possible structures. All compounds were found to be half-metallic ferromagnets. The characteristic of energy bands and origin of half-metallicity were also verified. The total magnetic moments of RbCaNZ (Z = O, S, and Se) compounds were obtained 2μB per formula unit, which were in an agreement with Slater-Pauling rule (Mtot = 12 - Ztot). Half-metallicity was preserved at ranges of 5.06-8.36 Å, 5.96-8.81 Å, and 6.13-8.73 Å for RbCaNO, RbCaNS, and RbCaNSe compounds, respectively, which show that these quaternary Heusler compounds may be potential candidates in spintronic applications.

  5. First-principles study of mechanical, exchange interactions and the robustness in Co{sub 2}MnSi full Heusler compounds

    Energy Technology Data Exchange (ETDEWEB)

    Akriche, A., E-mail: akricheahmed@gmail.com [Laboratoire de Microscope Electronique et Sciences des Matériaux, Université d’Oran des Sciences et de la Technologie-USTO, Mohamed Boudiaf, Faculté de physique, Département de Génie Physique, Oran (Algeria); Bouafia, H. [Laboratoire de Génie Physique, Université Ibn-Khaldoun, Tiaret 14000 (Algeria); Hiadsi, S. [Laboratoire de Microscope Electronique et Sciences des Matériaux, Université d’Oran des Sciences et de la Technologie-USTO, Mohamed Boudiaf, Faculté de physique, Département de Génie Physique, Oran (Algeria); Abidri, B. [Laboratoire des Matériaux Magnétiques, Université Djillali Liabés, Sidi Bel-Abbes (Algeria); Sahli, B. [Laboratoire de Génie Physique, Université Ibn-Khaldoun, Tiaret 14000 (Algeria); Elchikh, M.; Timaoui, M.A.; Djebour, B. [Laboratoire de Microscope Electronique et Sciences des Matériaux, Université d’Oran des Sciences et de la Technologie-USTO, Mohamed Boudiaf, Faculté de physique, Département de Génie Physique, Oran (Algeria)

    2017-01-15

    In this work we report the results of ab-initio studies of structural, mechanical, electronic and magnetic properties of Co based Co{sub 2}MnSi Heusler compound in stoichiometric composition. All of which are accurately calculated by the full-potential (FP-LMTO) program combined with the spin polarized generalized gradient approximation in the density functional formalism (DFT). The total energy calculations clearly favor the ferromagnetic ground state. The lattice parameter, elastic constants and their related parameters were also evaluated and compared to experimental and theoretical values whenever possible. In this paper, the electronic properties are treated with GGA+U approach. The magnetic exchange constants temperature has been calculated using a mean field-approximation (MFA). The half-metal to metal transition was observed around 40 GPa. Increasing pressure has no impact on the total magnetic moment or the overall shape of the band structure that indicates the robustness of the electronic structure of this system. - Highlights: • In this work, we have studied some physical properties of Co{sub 2}MnSi Heusler compound. • The exchange-correlation energy is treated within GGA and (GGA+U) approximation. • The electronic band structure shows that Co{sub 2}MnSi is a half-metallic compound.

  6. Synthesis and thermoelectric properties of fine-grained FeVSb system half-Heusler compound polycrystals with high phase purity

    International Nuclear Information System (INIS)

    Zou Minmin; Li Jingfeng; Guo Peijun; Kita, Takuji

    2010-01-01

    Nearly single-phased FeVSb half-Heusler compound thermoelectric materials with fine grains of diameter 100-200 nm were prepared from their elemental powders by combining mechanical alloying (MA) and spark plasma sintering. The resultant bulk samples showed a relatively low room-temperature electrical resistivity on the order of 10 μΩm, and a moderate negative Seebeck coefficient with a maximum value of -175 μV K -1 at 300 0 C. It was found that proper excessive addition of V relative to the stoichiometric composition (FeVSb) during MA enhanced the phase purity and hence the power factor of the spark plasma sintered samples, resulting in a large power factor value of 2480 μW m -1 K -2 when the elemental powders were mixed with the composition FeV 1.15 Sb. Its thermal conductivity was significantly reduced mainly due to refined grain sizes, resulting in a high dimensionless figure of merit ZT of 0.31 at a low-to-mid temperature (300 0 C) as for undoped half-Heusler compounds.

  7. Effects of Ga substitution on the structural and magnetic properties of half metallic Fe{sub 2}MnSi Heusler compound

    Energy Technology Data Exchange (ETDEWEB)

    Pedro, S. S., E-mail: sandrapedro@uerj.br; Caraballo Vivas, R. J.; Andrade, V. M.; Cruz, C.; Paixão, L. S.; Contreras, C.; Costa-Soares, T.; Rocco, D. L.; Reis, M. S. [Instituto de Física, Universidade Federal Fluminense, Niterói-RJ (Brazil); Caldeira, L. [IF Sudeste MG, Campus Juiz de Fora - Núcleo de Física, Juiz de Fora-MG (Brazil); Coelho, A. A. [Instituto de Física Gleb Wataghin, Universidade Estadual de Campinas - Unicamp, Campinas-SP (Brazil); Carvalho, A. Magnus G. [Laboratório Nacional de Luz Sincrotron, CNPEM, Campinas-SP (Brazil)

    2015-01-07

    The so-called half-metallic magnets have been proposed as good candidates for spintronic applications due to the feature of exhibiting a hundred percent spin polarization at the Fermi level. Such materials follow the Slater-Pauling rule, which relates the magnetic moment with the valence electrons in the system. In this paper, we study the bulk polycrystalline half-metallic Fe{sub 2}MnSi Heusler compound replacing Si by Ga to determine how the Ga addition changes the magnetic, the structural, and the half-metal properties of this compound. The material does not follow the Slater-Pauling rule, probably due to a minor structural disorder degree in the system, but a linear dependence on the magnetic transition temperature with the valence electron number points to the half-metallic behavior of this compound.

  8. Half-Heusler compounds with a 1 eV (1.7 eV) direct band gap, lattice-matched to GaAs (Si), for solar cell application: A first-principles study

    KAUST Repository

    Belmiloud, N.; Boutaiba, F.; Belabbes, Abderrezak; Ferhat, M.; Bechstedt, F.

    2016-01-01

    -Heusler compounds ScAgC, YCuC, CaZnC, NaAgO, and LiCuS are studied by density functional theory for potential applications in multi-junction solar cells. The calculated formation enthalpies indicate that these materials are thermodynamically stable. Using state

  9. Half-Heusler compounds with a 1 eV (1.7 eV) direct band gap, lattice-matched to GaAs (Si), for solar cell application: A first-principles study

    KAUST Repository

    Belmiloud, N.

    2016-01-10

    A systematic theoretical study of the structural and electronic properties of new half-Heusler compounds is performed to find the appropriate target key physical parameters for photovoltaic application. As a result, five ternary half-Heusler compounds ScAgC, YCuC, CaZnC, NaAgO, and LiCuS are studied by density functional theory for potential applications in multi-junction solar cells. The calculated formation enthalpies indicate that these materials are thermodynamically stable. Using state-of-the-art modified Becke-Johnson exchange potential approximation, we find a direct band gap close to 1eV (∼1.88eV) for ScAgC, YCuC, CaZnC, NaAgO (LiCuS) being quasi-lattice matched to GaAs (Si). In addition, the band offsets between half-Heusler compounds and GaAs (Si) and their consequences for heterostructures are derived using the modified Tersoff method for the branch-point energy. Furthermore, the elastic constants and phonon dispersion curves are calculated. They indicate the respective mechanical and dynamical stability of these half-Heusler compounds. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. Magnetic tunneling junctions with the Heusler compound Co2Cr0.6Fe0.4Al

    International Nuclear Information System (INIS)

    Conca Parra, A.

    2007-01-01

    Materials with large spin polarization are required for applications in spintronics devices. For this reason, major research efforts are directed to study the properties of compounds which are expected to be half metals, i.e. materials with 100% spin polarization. Half metals are expected to have a gap in the density of states at the Fermi energy for one spin band while the other spin band is metallic leading to a completely spin polarized current. The ferromagnetic full Heusler alloy Co 2 Cr 0.6 Fe 0.4 Al (CCFA) has attracted great interest in the field of spintronics. The high Tc (800 K) and the expected half metallicity make CCFA a good candidate for applications in spintronic devices such as magnetic tunneling junctions (MTJs). This thesis presents the results of the study of the electronic and structural properties of CCFA thin films. The films were implemented in magnetic tunneling junctions and the tunneling magnetoresistance effect (TMR) was investigated. The main objectives were the measurement of the spin polarisation of the CCFA alloy and to obtain information about its electronic structure. The influence of the deposition conditions on the thin film properties and on the surface crystalline order and their respective influence on the TMR ratio was investigated. Epitaxial CCFA thin films with two alternative growth orientations were deposited on different substrates and buffer layers. An annealing step was used to improve the crystalline properties of the thin films. In the tunneling junctions, Al 2 O 3 was used as a barrier material and Co was chosen as counter electrode. The multilayer systems were patterned in Mesa structures using lithographic techniques. In the framework of the Julliere model, a maximum spin polarisation of 54% at 4K was measured in tunneling junctions with epitaxial CCFA electrodes. A strong influence of the annealing temperature on the TMR ratio was determined. The increase of the TMR ratio could be correlated to an improvement of

  11. Half-metallic ferromagnetism in full-Heusler compounds ACaX2 (A = K and Rb; X = N and O)

    International Nuclear Information System (INIS)

    Umamaheswari, R.; Vijayalakshmi, D.; Yogeswari, M.; Kalpana, G.

    2014-01-01

    Electronic structure and magnetic properties of hypothetical ACaX 2 (A = K and Rb; X= N and O) compounds in full-Heusler phase have been investigated based on density functional theory (DFT) within the local density approximation (LDA). The electronic band structures and density of states of these compounds show that the spin-down electrons have metallic, and the spin-up electrons have a semi conducting gap resulting in stable half-metallic ferromagnetic behaviour. The strong spin polarization of 2p states of N and O atoms is found to be the origin of ferromagnetism which results in a total magnetic moment of 3 μB and 1 μB respectively

  12. Ground state properties and thermoelectric behavior of Ru{sub 2}VZ (Z=Si, ge, sn) half-metallic ferromagnetic full-Heusler compounds

    Energy Technology Data Exchange (ETDEWEB)

    Yalcin, Battal Gazi

    2016-06-15

    The ground state properties namely structural, mechanical, electronic and magnetic properties and thermoelectric behavior of Ru{sub 2}VZ (Z=Si, Ge and Sn) half-metallic ferromagnetic full-Heusler compounds are systematically investigated. These compounds are ferromagnetic and crystallize in the Heusler type L2{sub 1} structure (prototype: Cu{sub 2}MnAl, Fm-3m 225). This result is confirmed for Ru{sub 2}VSi and Ru{sub 2}VSn by experimental work reported by Yin and Nash using high temperature direct reaction calorimetry. The studied materials are half-metallic ferromagnets with a narrow direct band gap in the minority spin channel that amounts to 31 meV, 66 meV and 14 meV for Ru{sub 2}VSi, Ru{sub 2}VGe, and Ru{sub 2}VSn, respectively. The total spin magnetic moment (M{sub tot}) of the considered compounds satisfies a Slater–Pauling type rule for localized magnetic moment systems (M{sub tot}=(N{sub V}−24)µ{sub B}), where N{sub V}=25 is the number of valence electrons in the primitive cell. The Curie temperature within the random phase approximation (RPA) is found to be 23 K, 126 K and 447 K for Ru{sub 2}VSi, Ru{sub 2}VGe and Ru{sub 2}VSn, respectively. Semi-classical Boltzmann transport theories have been used to obtain thermoelectric constants, such as Seebeck coefficient (S), electrical (σ/τ) and thermal conductivity (κ/τ), power factor (PF) and the Pauli magnetic susceptibility (χ). ZT{sub MAX} values of 0.016 (350 K), 0.033 (380 K) and 0.063 (315 K) are achieved for Ru{sub 2}VSi, Ru{sub 2}VGe and Ru{sub 2}VSn, respectively. It is expected that the obtained results might be a trigger in future experimentally interest in this type of full-Heusler compounds. - Graphical abstract: Temperature dependence of figure of merit for Ru{sub 2}VZ (Z=Si, Ge, and Sn) compounds. - Highlights: • The ground state and thermoelectric properties are reported for the first time. • Ru{sub 2}VZ are found to be a half-metallic ferromagnetic full Heusler compound. • The

  13. First-principles study of new quaternary Heusler compounds without 3d transition metal elements: ZrRhHfZ (Z = Al, Ga, In)

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Xiaotian [School of Material Sciences and Engineering, Hebei University of Technology, Tianjin 300130 (China); Institute for Superconducting & Electronic Materials (ISEM), University of Wollongong, Wollongong 2500 (Australia); Cheng, Zhenxiang, E-mail: cheng@uow.edu.au [Institute for Superconducting & Electronic Materials (ISEM), University of Wollongong, Wollongong 2500 (Australia); Guo, Ruikang [School of Material Sciences and Engineering, Hebei University of Technology, Tianjin 300130 (China); Wang, Jianli [Institute for Superconducting & Electronic Materials (ISEM), University of Wollongong, Wollongong 2500 (Australia); Rozale, Habib [Condensed Matter and Sustainable Development Laboratory, Physics Department, University of Sidi-Bel-Abbès, 22000 Sidi-Bel-Abbès (Algeria); Wang, Liying [Department of Physics, Tianjin University, Tianjin 300350 (China); Yu, Zheyin [Institute for Superconducting & Electronic Materials (ISEM), University of Wollongong, Wollongong 2500 (Australia); Liu, Guodong, E-mail: gdliu1978@126.com [School of Material Sciences and Engineering, Hebei University of Technology, Tianjin 300130 (China)

    2017-06-01

    Plane-wave pseudo-potential methods based on density functional theory are employed to investigate the electronic structures, and the magnetic and half-metallic properties of the newly designed quaternary Heusler compounds ZrRhHfZ (Z = Al, Ga, In) without 3d transition metal elements. The calculated results show that ZrRhHfZ (Z = Al, Ga, In) compounds are half-metallic, with 100% spin polarization around the Fermi level. The structural stability of these compounds has been tested from the aspects of their cohesion energy and formation. The spin-flip/half-metallic gaps of ZrRhHfZ (Z = Al, Ga, In) compounds are quite large, with values of 0.2548 eV, 0.3483 eV, and 0.2866 eV, respectively. These compounds show Slater-Pauling behavior, and the total spin magnetic moment per unit cell (M{sub t}) scales with the total number of valence electrons (Z{sub t}) following the rule: M{sub t} = Z{sub t} - 18. The magnetization of ZrRhHfZ (Z = Al, Ga, In) compounds mainly comes from the 4d electrons of the Zr atoms and the 5d electrons of the Hf atoms. Furthermore, the effects of uniform strain and tetragonal deformation on the half metallicity has been investigated in detail, which is important for practical application. Finally, we reveal that the half-metallicity can be maintained when the Coulomb interactions are considered. - Highlights: • New quaternary compounds without 3d transition metal elements have been designed. • The electronic structures and magnetism of the ZrRhHfZ compounds have been studied. • The effect of strain on the half-metallic behavior has been tested. • The effect of the Coulomb interactions on the half-metallicity has been investigated.

  14. High performance p-type half-Heusler thermoelectric materials

    Science.gov (United States)

    Yu, Junjie; Xia, Kaiyang; Zhao, Xinbing; Zhu, Tiejun

    2018-03-01

    Half-Heusler compounds, which possess robust mechanical strength, good high temperature thermal stability and multifaceted physical properties, have been verified as a class of promising thermoelectric materials. During the last two decades, great progress has been made in half-Heusler thermoelectrics. In this review, we summarize some representative work of p-type half-Heusler materials, the thermoelectric performance of which has been remarkably enhanced in recent years. We introduce the features of the crystal and electronic structures of half-Heusler compounds, and successful strategies for optimizing electrical and thermal transport in the p-type RFeSb (R  =  V, Nb, Ta) and MCoSb (M  =  Ti, Zr, Hf) based systems, including band engineering, the formation of solid solutions and hierarchical phonon scattering. The outlook for future research directions of half-Heusler thermoelectrics is also presented.

  15. Lattice constant changes leading to significant changes of the spin-gapless features and physical nature in a inverse Heusler compound Zr2MnGa

    Science.gov (United States)

    Wang, Xiaotian; Cheng, Zhenxiang; Khenata, Rabah; Wu, Yang; Wang, Liying; Liu, Guodong

    2017-12-01

    The spin-gapless semiconductors with parabolic energy dispersions [1-3] have been recently proposed as a new class of materials for potential applications in spintronic devices. In this work, according to the Slater-Pauling rule, we report the fully-compensated ferrimagnetic (FCF) behavior and spin-gapless semiconducting (SGS) properties for a new inverse Heusler compound Zr2MnGa by means of the plane-wave pseudo-potential method based on density functional theory. With the help of GGA-PBE, the electronic structures and the magnetism of Zr2MnGa compound at its equilibrium and strained lattice constants are systematically studied. The calculated results show that the Zr2MnGa is a new SGS at its equilibrium lattice constant: there is an energy gap between the conduction and valence bands for both the majority and minority electrons, while there is no gap between the majority electrons in the valence band and the minority electrons in the conduction band. Remarkably, not only a diverse physical nature transition, but also different types of spin-gapless features can be observed with the change of the lattice constants. Our calculated results of Zr2MnGa compound indicate that this material has great application potential in spintronic devices.

  16. Superconducting properties of Zr1+xNi2-xGa and Zr1-xNi2+xGa Heusler compounds

    Directory of Open Access Journals (Sweden)

    Saad Alzahrani

    2017-05-01

    Full Text Available The superconducting properties of a series of Zr1+xNi2-xGa and Zr1-xNi2+xGa compounds have been investigated by x-ray diffraction, electrical resistivity, dc magnetization, and ac susceptibility measurements. While the parent compound, ZrNi2Ga, exhibited the cubic L21 Heusler structure, multiple non-cubic structures formed in the Zr and Ni rich doped materials. For x ≤ 0.3, all Zr1-xNi2+xGa compounds demonstrated superconducting behavior, but no superconductivity was observed in the Zr1+xNi2-xGa alloys for x > 0.2. The magnetization data revealed that all materials in both Zr1+xNi2-xGa and Zr1-xNi2+xGa series exhibited type-II superconductivity. With increasing doping concentration x, the paramagnetic ordering were enhanced in both systems while the superconducting properties were found to weaken. The observations are discussed considering the structural disorders in the systems.

  17. Engineering half-Heusler thermoelectric materials using Zintl chemistry

    Science.gov (United States)

    Zeier, Wolfgang G.; Schmitt, Jennifer; Hautier, Geoffroy; Aydemir, Umut; Gibbs, Zachary M.; Felser, Claudia; Snyder, G. Jeffrey

    2016-06-01

    Half-Heusler compounds based on XNiSn and XCoSb (X = Ti, Zr or Hf) have rapidly become important thermoelectric materials for converting waste heat into electricity. In this Review, we provide an overview on the electronic properties of half-Heusler compounds in an attempt to understand their basic structural chemistry and physical properties, and to guide their further development. Half-Heusler compounds can exhibit semiconducting transport behaviour even though they are described as ‘intermetallic’ compounds. Therefore, it is most useful to consider these systems as rigid-band semiconductors within the framework of Zintl (or valence-precise) compounds. These considerations aid our understanding of their properties, such as the bandgap and low hole mobility because of interstitial Ni defects in XNiSn. Understanding the structural and bonding characteristics, including the presence of defects, will help to develop different strategies to improve and design better half-Heusler thermoelectric materials.

  18. Transformation Paths from Cubic to Low-Symmetry Structures in Heusler Ni2MnGa Compound.

    Science.gov (United States)

    Zelený, Martin; Straka, Ladislav; Sozinov, Alexei; Heczko, Oleg

    2018-05-08

    In order to explain the formation of low-temperature phases in stoichiometric Ni 2 MnGa magnetic shape memory alloy, we investigate the phase transformation paths from cubic austenite with Heusler structure to low-symmetry martensitic structures. We used ab initio calculations combined with the generalized solid state nudged elastic band method to determine the minimum energy path and corresponding changes in crystal lattice. The four-, five-, and seven-layered modulated phases of martensite (4O, 10M, and 14M) are built as the relaxed nanotwinned non-modulated (NM) phase. Despite having a total energy larger than the other martensitic phases, the 10M phase will spontaneously form at 0 K, because there is no energy barrier on the path and the energy decreases with a large negative slope. Moreover, a similar negative slope in the beginning of path is found also for the transformation to the 6M premartensite, which appears as a local minimum on the path leading further to 10M martensite. Transformation paths to other structures exhibit more or less significant barriers in the beginning hindering such a transformation from austenite. These findings correspond to experiment and demonstrates that the kinetics of the transformation is decisive for the selection of the particular low-symmetry structure.

  19. Diffusive-like effects and possible non trivial local topology on the half-Heusler YPdBi compound

    Science.gov (United States)

    Souza, J. C.; Lesseux, G. G.; Urbano, R. R.; Rettori, C.; Pagliuso, P. G.

    2018-05-01

    The non-ambiguous experimental identification of topological states of matter is one of the main interesting problems regarding this new quantum state of matter. In particular, the half-Heusler family RMT (R = rare-earth, T = Pd, Pt or Au and T = Bi, Sb, Pb or Sn) could be a useful platform to explore these states due to their cubic symmetry and the topological properties tunable via their unit cell volume and/or the nuclear charges of the M and T atoms. In this work, we report electron spin resonance (ESR) and complementary macroscopic measurements in the Nd3 + -doped putative topologically trivial semimetal YPdBi. Following the Nd3 + ESR lineshape as a function of microwave power, size of the particle and temperature, we have been able to observe an evolution from a Dysonian lineshape to a diffusive-like lineshape. Furthermore, the Nd3 + ESR intensity saturation is concentration dependent, which could be due to a phonon-bottleneck process. Comparing these results with the Nd3 + -doped YPtBi, we discuss a possible scenario in which the Nd3 + ions could locally tune the topological properties of the system.

  20. Phase stability, magnetic, electronic, half-metallic and mechanical properties of a new equiatomic quaternary Heusler compound ZrRhTiIn: A first-principles investigation

    Science.gov (United States)

    Wang, Jia-Xing; Chen, Z. B.; Gao, Y. C.

    2018-05-01

    In this manuscript, we have studied the electronic, magnetic, half-metallic and mechanical properties of a new Zr-based equiatomic quaternary Heusler (EQH) compound, ZrRhTiIn using first-principles calculations. The generalized gradient approximation (GGA) calculation results imply that at its equilibrium lattice constant of 6.70 Å, ZrRhTiIn is a half-metallic material (HMM) with a considerable band gap (Ebg) of 0.530 eV and a spin-filter/half-metallic band-gap (EHM) of 0.080 eV in the minority-spin channel. For ZrRhTiIn, the formation energy of -2.738 eV and the cohesive energy of 21.38 eV indicate that it is a thermodynamically stable material according to theory. The minority-spin EHM arises from the hybridization among Zr-4d, Ti-3d and Rh-4d electrons. The calculated total magnetic moment of ZrRhTiIn is 2 μB, meeting the well-known Slater-Pauling rule Mt = Zt -18. Furthermore, uniform strain and tetragonal strain were applied in this work to examine the magneto-electronic and half-metallic behaviors of the ZrRhTiIn system. Finally, we show that ZrRhTiIn is mechanically stable, ductile and anisotropic.

  1. Structural, electronic, magnetic, half-metallic, mechanical, and thermodynamic properties of the quaternary Heusler compound FeCrRuSi: A first-principles study.

    Science.gov (United States)

    Wang, Xiaotian; Khachai, Houari; Khenata, Rabah; Yuan, Hongkuan; Wang, Liying; Wang, Wenhong; Bouhemadou, Abdelmadjid; Hao, Liyu; Dai, Xuefang; Guo, Ruikang; Liu, Guodong; Cheng, Zhenxiang

    2017-11-23

    In this paper, we have investigated the structural, electronic, magnetic, half-metallic, mechanical, and thermodynamic properties of the equiatomic quaternary Heusler (EQH) compound FeCrRuSi using the density functional theory (DFT) and the quasi-harmonic Debye model. Our results reveal that FeCrRuSi is a half-metallic material (HMM) with a total magnetic moment of 2.0 μ B in agreement with the well-known Slater-Pauling rule M t  = Z t  - 24. Furthermore, the origin of the half-metallic band gap in FeCrRuSi is well studied through a schematic diagram of the possible d-d hybridization between Fe, Cr and Ru elements. The half-metallic behavior of FeCrRuSi can be maintained in a relatively wide range of variations of the lattice constant (5.5-5.8 Å) under uniform strain and the c/a ratio (0.96-1.05) under tetragonal distortion. The calculated phonon dispersion, cohesive and formation energies, and mechanical properties reveal that FeCrRuSi is stable with an EQH structure. Importantly, the compound of interest has been prepared and is found to exist in an EQH type structure with the presence of some B2 disorder. Moreover, the thermodynamic properties, such as the thermal expansion coefficient α, the heat capacity C V , the Grüneisen constant γ, and the Debye temperature Θ D are calculated.

  2. Magnetic tunneling junctions with the Heusler compound Co{sub 2}Cr{sub 0.6}Fe{sub 0.4}Al

    Energy Technology Data Exchange (ETDEWEB)

    Conca Parra, A.

    2007-07-20

    Materials with large spin polarization are required for applications in spintronics devices. For this reason, major research efforts are directed to study the properties of compounds which are expected to be half metals, i.e. materials with 100% spin polarization. Half metals are expected to have a gap in the density of states at the Fermi energy for one spin band while the other spin band is metallic leading to a completely spin polarized current. The ferromagnetic full Heusler alloy Co{sub 2}Cr{sub 0.6}Fe{sub 0.4}Al (CCFA) has attracted great interest in the field of spintronics. The high Tc (800 K) and the expected half metallicity make CCFA a good candidate for applications in spintronic devices such as magnetic tunneling junctions (MTJs). This thesis presents the results of the study of the electronic and structural properties of CCFA thin films. The films were implemented in magnetic tunneling junctions and the tunneling magnetoresistance effect (TMR) was investigated. The main objectives were the measurement of the spin polarisation of the CCFA alloy and to obtain information about its electronic structure. The influence of the deposition conditions on the thin film properties and on the surface crystalline order and their respective influence on the TMR ratio was investigated. Epitaxial CCFA thin films with two alternative growth orientations were deposited on different substrates and buffer layers. An annealing step was used to improve the crystalline properties of the thin films. In the tunneling junctions, Al{sub 2}O{sub 3} was used as a barrier material and Co was chosen as counter electrode. The multilayer systems were patterned in Mesa structures using lithographic techniques. In the framework of the Julliere model, a maximum spin polarisation of 54% at 4K was measured in tunneling junctions with epitaxial CCFA electrodes. A strong influence of the annealing temperature on the TMR ratio was determined. The increase of the TMR ratio could be correlated

  3. Tuning the magnetocaloric response in half-Heusler/Heusler MnNi1 +xSb solid solutions

    Science.gov (United States)

    Levin, Emily E.; Bocarsly, Joshua D.; Wyckoff, Kira E.; Pollock, Tresa M.; Seshadri, Ram

    2017-12-01

    Materials with a large magnetocaloric response are associated with a temperature change upon the application of a magnetic field and are of interest for applications in magnetic refrigeration and thermomagnetic power generation. The usual metric of this response is the gravimetric isothermal entropy change Δ SM . The use of a simple proxy for the Δ SM that is based on density functional theory (DFT) calculations of the magnetic electronic structure suggests that half-Heusler MnNiSb should be a better magnetocaloric than the corresponding Heusler compound MnNi2Sb . Guided by this observation, we present a study of MnNi1 +xSb (x =0 , 0.25, 0.5, 0.75, and 1.0) to evaluate relevant structural and magnetic properties. DFT stability calculations suggest that the addition of Ni takes place at a symmetrically distinct Ni site in the half-Heusler structure and support the observation using synchrotron x-ray diffraction of a homogeneous solid solution between the half-Heusler and Heusler end members. There is a maximum in the saturation magnetization at x =0.5 and the Curie temperature systematically decreases with increasing x . Δ SM for a maximum magnetic field change of Δ H =5 T monotonically decreases in magnitude from -2.93 J kg-1K-1 in the half-Heusler to -1.35 J kg-1K-1 in the Heusler compound. The concurrent broadening of the magnetic transition results in a maximum in the refrigerant capacity at x =0.75 . The Curie temperature of this system is highly tunable between 350 K and 750 K, making it ideal for low grade waste heat recovery via thermomagnetic power generation. The increase in Δ SM with decreasing x may be extendable to other MnNi2Z Heusler systems that are currently under investigation for use in magnetocaloric refrigeration applications.

  4. Half-Heusler Alloys as Promising Thermoelectric Materials

    Science.gov (United States)

    Page, Alexander A.

    This thesis describes Ph.D. research on the half-Heusler class of thermoelectric materials. Half-Heusler alloys are a versatile class of materials that have been studied for use in photovoltaics, phase change memory, and thermoelectric power generation. With respect to thermoelectric power generation, new approaches were recently developed in order to improve the thermoelectric figure of merit, ZT, of half-Heusler alloys. Two of the strategies discussed in this work are adding excess Ni within MNiSn (M = Ti, Zr, or Hf) compounds to form full-Heusler nanostructures and using isoelectronic substitution of Ti, Zr, and Hf in MNiSn compounds to create microscale grain boundaries. This work uses computational simulations based on density functional theory, combined with the cluster expansion method, to predict the stable phases of pseudo-binary and pseudo-ternary composition systems. Statistical mechanics methods were used to calculate temperature-composition phase diagrams that relate the equilibrium phases. It is shown that full-Heusler nanostructures are predicted to remain stable even at high temperatures, and the microscale grain boundaries observed in (Ti,Zr,Hf)NiSn materials are found to be thermodynamically unstable at equilibrium. A new strategy of combining MNiSn materials with ZrNiPb has also recently emerged, and theoretical and experimental work show that a solid solution of the two materials is stable.

  5. Half-metallic ferromagnetic features in d{sup 0} quaternary-Heusler compounds KCaCF and KCaCCl: A first-principles description

    Energy Technology Data Exchange (ETDEWEB)

    Du, Jiangtao [Department of Physics, Faculty of Science, Tianjin University, Tianjin 300350 (China); Dong, Shengjie [Department of Physics, Tianjin Normal University, Tianjin 300387 (China); Lu, Yi-Lin [Department of Physics, Faculty of Science, Tianjin University, Tianjin 300350 (China); Zhao, Hui [Department of Physics, Tianjin Normal University, Tianjin 300387 (China); Feng, Liefeng, E-mail: fengliefeng@tju.edu.cn [Department of Physics, Faculty of Science, Tianjin University, Tianjin 300350 (China); Wang, L.Y. [Department of Physics, Faculty of Science, Tianjin University, Tianjin 300350 (China)

    2017-04-15

    The electronic structures and magnetic properties of quaternary Heusler alloys KCaCF and KCaCCl have been analyzed by means of first-principles calculations on the basis of density functional theory. We found that type-3 structure is the most stable configuration where C occupies (0, 0, 0) site, K (0.25, 0.25, 0.25), F/Cl (0.5, 0.5, 0.5), and Ca (0.75, 0.75, 0.75). Type-1 arrangement is the metastable structure in which K, Ca, C, and X occupy (0, 0, 0), (0.25, 0.25, 0.25), (0.5, 0.5, 0.5), and (0.75, 0.75, 0.75) sites, respectively. Both of them are half metals with equilibrium volume. The spin polarization is predominantly from C 2p states. With the variation of the lattice constant, spin-gapless semiconducting characteristic is achieved for type-1 KCaCCl as volume increases. - Highlights: • KCaCX (X=F and Cl) alloys with quaternary-Heusler structure were designed. • They exhibit a half-metallic ferromagnetic behavior at equilibrium lattice parameter. • The spin polarization is mainly from the partially-filled p state and p-d interaction. • KCaCCl can become spin-gapless semiconductor with the variation of lattice parameter.

  6. Production of polarizing Heusler crystals

    Energy Technology Data Exchange (ETDEWEB)

    Courtois, P. [Institut Max von Laue - Paul Langevin (ILL), 38 - Grenoble (France)

    1999-11-01

    Heusler crystals simultaneously produce monochromatized and polarized neutrons. However, in the past, it was difficult to produce these crystals. In collaboration with the neutron scattering group of CEA Grenoble and LLB Saclay, the production of high quality Heusler crystals has been established at ILL. (author) 3 refs., 2 figs., 1 tab.

  7. Observation of Dirac state in half-Heusler material YPtBi

    OpenAIRE

    Hosen, M. Mofazzel; Dhakal, Gyanendra; Dimitri, Klauss; Choi, Hongchul; Kabir, Firoza; Sims, Christopher; Pavlosiuk, Orest; Wisniewski, Piotr; Durakiewicz, Tomasz; Zhu, Jian-Xin; Kaczorowski, Dariusz; Neupane, Madhab

    2018-01-01

    The prediction of non-trivial topological electronic states hosted by half-Heusler compounds makes them prime candidates for discovering new physics and devices as they harbor a variety of electronic ground states including superconductivity, magnetism, and heavy fermion behavior. Here we report normal state electronic properties of a superconducting half-Heusler compound YPtBi using angle-resolved photoemission spectroscopy (ARPES). Our data reveal the presence of a Dirac state at the zone c...

  8. Surface half-metallicity of half-Heusler compound FeCrSe and interface half-metallicity of FeCrSe/GaP

    Energy Technology Data Exchange (ETDEWEB)

    Khalaf Al-zyadi, Jabbar M., E-mail: jabbar_alzyadi@yahoo.com [Department of Physics, College of Education for Pure Sciences, University of Basrah (Iraq); Jolan, Mudhahir H. [Department of Physics, College of Education for Pure Sciences, University of Basrah (Iraq); Yao, Kai-Lun, E-mail: klyao@mail.hust.edu.cn [School of Physics and Wuhan National High Magnetic Field Center, Huazhong University of Science and Technology, Wuhan 430074 (China); International Center of Materials Physics, Chinese Academy of Sciences, Shenyang 110015 (China)

    2016-04-01

    Recent studies showed that half-Heusler FeCrSe exhibits half-metallic ferromagnetism (Huang et al. [20]). In this paper, we investigate extensively the electronic, magnetic, and half-metallic properties of the half-Heusler alloy FeCrSe (111) and (001) surfaces and the interface with GaP (111) substrate by using the first-principles calculations within the density functional theory. The atomic density of states demonstrates that the half-me tallicity verified in the bulk FeCrSe is maintained at the CrSe-terminated (001) and Se-terminated (111) surfaces, but lost at both Cr- and Fe-terminated (111) surfaces and the Fe-terminated (001) surface. Alternatively, for the interface of FeCrSe/GaP (111), the bulk half-metallicity is destroyed at Se–P configuration while Se–Ga interface and subinterface show nearly 100% spin polarization. Moreover, the calculated interfacial adhesion energies exhibit that Se–Ga shape is more stable than the Se–P one. The calculated magnetic moments of Se, Ga at the Se–Ga (111) interface and P at the Se–P (111) interface increase with respect to the corresponding bulk values while the atomic magnetic moment of Se atom at the Se–P (111) interface decreases. We also notice that the magnetic moments of subinterface Fe at both Se–Ga and Se–P (111) interfaces decrease compared to the bulk values. - Highlights: • The half-metallicity verified in the bulk FeCrSe is kept at the CrSe-terminated (001) and Se-terminated (111) surfaces. • The calculated interfacial adhesion energies exhibit that Se–Ga shape is more stable than Se–P. • The magnetic moments of Se, Ga and P atoms at the interface increase. • The Se–Ga interface shows nearly 100% spin polarization.

  9. On the Phase Separation in n-Type Thermoelectric Half-Heusler Materials

    Directory of Open Access Journals (Sweden)

    Michael Schwall

    2018-04-01

    Full Text Available Half-Heusler compounds have been in focus as potential materials for thermoelectric energy conversion in the mid-temperature range, e.g., as in automotive or industrial waste heat recovery, for more than ten years now. Because of their mechanical and thermal stability, these compounds are advantageous for common thermoelectric materials such as Bi 2 Te 3 , SiGe, clathrates or filled skutterudites. A further advantage lies in the tunability of Heusler compounds, allowing one to avoid expensive and toxic elements. Half-Heusler compounds usually exhibit a high electrical conductivity σ , resulting in high power factors. The main drawback of half-Heusler compounds is their high lattice thermal conductivity. Here, we present a detailed study of the phase separation in an n-type Heusler materials system, showing that the Ti x Zr y Hf z NiSn system is not a solid solution. We also show that this phase separation is key to the thermoelectric high efficiency of n-type Heusler materials. These results strongly underline the importance of phase separation as a powerful tool for designing highly efficient materials for thermoelectric applications that fulfill the industrial demands of a thermoelectric converter.

  10. Thermodynamic properties of Heusler Fe2VSi

    Science.gov (United States)

    Ito, Masakazu; Kai, Keita; Furuta, Tatsuya; Manaka, Hirotaka; Terada, Norio; Hiroi, Masahiko; Kondo, Akihiro; Kindo, Koichi

    2018-05-01

    We investigated temperature, T, dependence of magnetization, M(T), electrical resistivity, ρ(T), and specific heat, Cp(T), for the Heusler compound Fe2VSi. M(T) shows anomalies at TN1 ˜ 115 K and at TN2 ˜ 35 K. The anomaly at TN1 is caused by the magnetic transition with a crystal structural change. On the other hand, ρ(T) and Cp(T) show only anomaly at TN1, and no trace of anomaly at TN2 is observed. Because of the irreversibility of M(T), which is the characteristic of spin-glass freezing, appears below TN2, a spin-glass freezing may occur at TN2. From the analogy of the Heusler compound (Fe1-xVx ) 3Si with the cubic D03 crystal structure, (0 ≤ x ≤ 0.2), we suggested that the atomic disorder of V site by the Fe atoms gives rise to the magnetic frustration. This could be cause for the spin-glass freezing. By the Clausius-Clapeyron relation, pressure, P, derivative of TN1, (d/TN 1 d P ), is estimated to be ˜-10 K/Gpa.

  11. Performance analysis of STT-RAM with cross shaped free layer using Heusler alloys

    Science.gov (United States)

    Bharat Kumary, Tangudu; Ghosh, Bahniman; Awadhiya, Bhaskar; Verma, Ankit Kumar

    2016-01-01

    We have investigated the performance of a spin transfer torque random access memory (STT-RAM) cell with a cross shaped Heusler compound based free layer using micromagnetic simulations. We have designed a free layer using a Cobalt based Heusler compound. Simulation results clearly show that the switching time from one state to the other state has been reduced, also it has been found that the critical switching current density (to switch the magnetization of the free layer of the STT RAM cell) is reduced.

  12. A One-Step Route to CO2 -Based Block Copolymers by Simultaneous ROCOP of CO2 /Epoxides and RAFT Polymerization of Vinyl Monomers.

    Science.gov (United States)

    Wang, Yong; Zhao, Yajun; Ye, Yunsheng; Peng, Haiyan; Zhou, Xingping; Xie, Xiaolin; Wang, Xianhong; Wang, Fosong

    2018-03-26

    The one-step synthesis of well-defined CO 2 -based diblock copolymers was achieved by simultaneous ring-opening copolymerization (ROCOP) of CO 2 /epoxides and RAFT polymerization of vinyl monomers using a trithiocarbonate compound bearing a carboxylic group (TTC-COOH) as the bifunctional chain transfer agent (CTA). The double chain-transfer effect allows for independent and precise control over the molecular weight of the two blocks and ensures narrow polydispersities of the resultant block copolymers (1.09-1.14). Notably, an unusual axial group exchange reaction between the aluminum porphyrin catalyst and TTC-COOH impedes the formation of homopolycarbonates. By taking advantage of the RAFT technique, it is able to meet the stringent demand for functionality control to well expand the application scopes of CO 2 -based polycarbonates. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. Quality of Heusler single crystals examined by depth-dependent positron annihilation techniques

    Science.gov (United States)

    Hugenschmidt, C.; Bauer, A.; Böni, P.; Ceeh, H.; Eijt, S. W. H.; Gigl, T.; Pfleiderer, C.; Piochacz, C.; Neubauer, A.; Reiner, M.; Schut, H.; Weber, J.

    2015-06-01

    Heusler compounds exhibit a wide range of different electronic ground states and are hence expected to be applicable as functional materials in novel electronic and spintronic devices. Since the growth of large and defect-free Heusler crystals is still challenging, single crystals of Fe2TiSn and Cu2MnAl were grown by the optical floating zone technique. Two positron annihilation techniques—angular correlation of annihilation radiation and Doppler broadening spectroscopy (DBS)—were applied in order to study both the electronic structure and lattice defects. Recently, we succeeded to observe clearly the anisotropy of the Fermi surface of Cu2MnAl, whereas the spectra of Fe2TiSn were disturbed by foreign phases. In order to estimate the defect concentration in different samples of Heusler compounds, the positron diffusion length was determined by DBS using a monoenergetic positron beam.

  14. First-principles study on the structural, electronic and magnetic properties of the Ti{sub 2}VZ (Z = Si, Ge, Sn) full-Heusler compounds

    Energy Technology Data Exchange (ETDEWEB)

    Qi, Santao; Shen, Jiang [Institute for Applied Physics, University of Science and Technology Beijing, Beijing 100083 (China); Zhang, Chuan-Hui, E-mail: zhangch@ustb.edu.cn [National Center for Materials Service Safety, University of Science and Technology Beijing, Beijing 100083 (China)

    2015-08-15

    In the present work, we have investigated the structural, electronic and magnetic properties of Ti{sub 2}VZ (Z = Si, Ge, Sn) alloys with Hg{sub 2}CuTi-type structure in the framework of density functional theory with generalized gradient approximation (GGA). The calculated results show that Ti{sub 2}VSi and Ti{sub 2}VGe alloys belong to half-metallic compounds with a perfect 100% spin polarization at the Fermi level while Ti{sub 2}VSn alloy is just a conventional ferrimagnetism compound. And the total magnetic moment of Ti{sub 2}VSi and Ti{sub 2}VGe obey the Slater–Pauling (SP) rule. In a moderate variation range of lattice distortion, Ti{sub 2}VSi and Ti{sub 2}VGe remain half-metallicity. We expect that our calculated results may trigger Ti{sub 2}VZ (Z = Si, Ge, Sn) applying in the future spintronics field. - Highlights: • Structural properties of Ti{sub 2}VZ (Z = Si, Ge, Sn) have been achieved by ab initio. • The calculations proved Ti{sub 2}VSi and Ti{sub 2}VGe to be half-metallic compounds. • The total magnetic moments of Ti{sub 2}VSi and Ti{sub 2}VGe followed the SP rule M{sub t} = Z{sub t} − 18. • Their magnetic and half-metallic properties changed with lattice distortion.

  15. Consistent phase-change modeling for CO2-based heat mining operation

    DEFF Research Database (Denmark)

    Singh, Ashok Kumar; Veje, Christian

    2017-01-01

    The accuracy of mathematical modeling of phase-change phenomena is limited if a simple, less accurate equation of state completes the governing partial differential equation. However, fluid properties (such as density, dynamic viscosity and compressibility) and saturation state are calculated using...... a highly accurate, complex equation of state. This leads to unstable and inaccurate simulation as the equation of state and governing partial differential equations are mutually inconsistent. In this study, the volume-translated Peng–Robinson equation of state was used with emphasis to model the liquid......–gas phase transition with more accuracy and consistency. Calculation of fluid properties and saturation state were based on the volume translated Peng–Robinson equation of state and results verified. The present model has been applied to a scenario to simulate a CO2-based heat mining process. In this paper...

  16. Evaluation of CO2-based cold sterilization of a model hydrogel.

    Science.gov (United States)

    Jiménez, A; Zhang, J; Matthews, M A

    2008-12-15

    The purpose of the present work is to evaluate a novel CO(2)-based cold sterilization process in terms of both its killing efficiency and its effects on the physical properties of a model hydrogel, poly(acrylic acid-co-acrylamide) potassium salt. Suspensions of Staphylococcus aureus and Escherichia coli were prepared for hydration and inoculation of the gel. The hydrogels were treated with supercritical CO(2) (40 degrees C, 27.6 MPa). The amount of bacteria was quantified before and after treatment. With pure CO(2), complete killing of S. aureus and E. coli was achieved for treatment times as low as 60 min. After treatment with CO(2) plus trace amounts of H(2)O(2) at the same experimental conditions, complete bacteria kill was also achieved. For times less than 30 min, incomplete kill was noted. Several physical properties of the gel were evaluated before and after SC-CO(2) treatment. These were largely unaffected by the CO(2) process. Drying curves showed no significant change between treated (pure CO(2) and CO(2) plus 30% H(2)O(2)) and untreated samples. The average equilibrium swelling ratios were also very similar. No changes in the dry hydrogel particle structure were evident from SEM micrographs.

  17. Geochemical Interaction of Middle Bakken Reservoir Rock and CO2 during CO2-Based Fracturing

    Science.gov (United States)

    Nicot, J. P.; Lu, J.; Mickler, P. J.; Ribeiro, L. H.; Darvari, R.

    2015-12-01

    This study was conducted to investigate the effects of geochemical interactions when CO2 is used to create the fractures necessary to produce hydrocarbons from low-permeability Middle Bakken sandstone. The primary objectives are to: (1) identify and understand the geochemical reactions related to CO2-based fracturing, and (2) assess potential changes of reservoir property. Three autoclave experiments were conducted at reservoir conditions exposing middle Bakken core fragments to supercritical CO2 (sc-CO2) only and to CO2-saturated synthetic brine. Ion-milled core samples were examined before and after the reaction experiments using scanning electron microscope, which enabled us to image the reaction surface in extreme details and unambiguously identify mineral dissolution and precipitation. The most significant changes in the reacted rock samples exposed to the CO2-saturated brine is dissolution of the carbonate minerals, particularly calcite which displays severely corrosion. Dolomite grains were corroded to a lesser degree. Quartz and feldspars remained intact and some pyrite framboids underwent slight dissolution. Additionally, small amount of calcite precipitation took place as indicated by numerous small calcite crystals formed at the reaction surface and in the pores. The aqueous solution composition changes confirm these petrographic observations with increase in Ca and Mg and associated minor elements and very slight increase in Fe and sulfate. When exposed to sc-CO2 only, changes observed include etching of calcite grain surface and precipitation of salt crystals (halite and anhydrite) due to evaporation of residual pore water into the sc-CO2 phase. Dolomite and feldspars remained intact and pyrite grains were slightly altered. Mercury intrusion capillary pressure tests on reacted and unreacted samples shows an increase in porosity when an aqueous phase is present but no overall porosity change caused by sc-CO2. It also suggests an increase in permeability

  18. An improved CO_2-based transcritical Rankine cycle (CTRC) used for engine waste heat recovery

    International Nuclear Information System (INIS)

    Shu, Gequn; Shi, Lingfeng; Tian, Hua; Li, Xiaoya; Huang, Guangdai; Chang, Liwen

    2016-01-01

    Highlights: • Propose an improved CTRC system (PR-CTRC) for engine waste heat recovery. • The PR-CTRC achieves a significant increase in thermodynamic performance. • The PR-CTRC possesses a strong coupling capability for high and low grade waste heat. • The PR-CTRC uses smaller turbine design parameters than ORC systems. • Total cooling load analysis of combined engine and recovery system was conducted. - Abstract: CO_2-based transcritical Rankine cycle (CTRC) is a promising technology for the waste heat recovery of an engine considering its safety and environment friendly characteristics, which also matchs the high temperature of the exhaust gas and satisfies the miniaturization demand of recovery systems. But the traditional CTRC system with a basic configuration (B-CTRC) has a poor thermodynamic performance. This paper introduces an improved CTRC system containing both a preheater and regenerator (PR-CTRC), for recovering waste heat in exhaust gas and engine coolant of an engine, and compares its performance with that of the B-CTRC system and also with that of the traditional excellent Organic Rankine Cycle (ORC) systems using R123 as a working fluid. The utilization rate of waste heat, total cooling load, net power output, thermal efficiency, exergy loss, exergy efficiency and component size have been investigated. Results show that, the net power output of the PR-CTRC could reach up to 9.0 kW for a 43.8 kW engine, which increases by 150% compared with that of the B-CTRC (3.6 kW). The PR-CTRC also improves the thermal efficiency and exergy efficiency of the B-CTRC, with increases of 184% and 227%, respectively. Compared with the ORC system, the PR-CTRC shows the significant advantage of highly recycling the exhaust gas and engine coolant simultaneously due to the special property of supercritical CO_2’s specific heat capacity. The supercritical property of CO_2 also generates a better heat transfer and flowing performances. Meanwhile, the PR

  19. Nanoscale structural heterogeneity in Ni-rich half-Heusler TiNiSn

    International Nuclear Information System (INIS)

    Douglas, Jason E.; Pollock, Tresa M.; Chater, Philip A.; Brown, Craig M.; Seshadri, Ram

    2014-01-01

    The structural implications of excess Ni in the TiNiSn half-Heusler compound are examined through a combination of synchrotron x-ray and neutron scattering studies, in conjunction with first principles density functional theory calculations on supercells. Despite the phase diagram suggesting that TiNiSn is a line compound with no solid solution, for small x in TiNi 1+x Sn there is indeed an appearance—from careful analysis of the scattering—of some solubility, with the excess Ni occupying the interstitial tetrahedral site in the half-Heusler structure. The analysis performed here would point to the excess Ni not being statistically distributed, but rather occurring as coherent nanoclusters. First principles calculations of energetics, carried out using supercells, support a scenario of Ni interstitials clustering, rather than a statistical distribution.

  20. Modeling of full-Heusler alloys within tight-binding approximation: Case study of Fe2MnAl

    Science.gov (United States)

    Azhar, A.; Majidi, M. A.; Nanto, D.

    2017-07-01

    Heusler alloys have been known for about a century, and predictions of magnetic moment values using Slater-Pauling rule have been successful for many such materials. However, such a simple counting rule has been found not to always work for all Heusler alloys. For instance, Fe2CuAl has been found to have magnetic moment of 3.30 µB per formula unit although the Slater-Pauling rule suggests the value of 2 µB. On the other hand, a recent experiment shows that a non-stoichiometric Heusler compound Fe2Mn0.5Cu0.5Al possesses magnetic moment of 4 µB, closer to the Slater-Pauling prediction for the stoichiometric compound. Such discrepancies signify that the theory to predict the magnetic moment of Heusler alloys in general is still far from being complete. Motivated by this issue, we propose to do a theoretical study on a full-Heusler alloy Fe2MnAl to understand the formation of magnetic moment microscopically. We model the system by constructing a density-functional-theory-based tight-binding Hamiltonian and incorporating Hubbard repulsive as well as spin-spin interactions for the electrons occupying the d-orbitals. Then, we solve the model using Green's function approach, and treat the interaction terms within the mean-field approximation. At this stage, we aim to formulate the computational algorithm for the overall calculation process. Our final goal is to compute the total magnetic moment per unit cell of this system and compare it with the experimental data.

  1. Phase separation and antisite defects in the thermoelectric TiNiSn half-Heusler alloys

    International Nuclear Information System (INIS)

    Kirievsky, K.; Gelbstein, Y.; Fuks, D.

    2013-01-01

    The half-Heusler TiNiSn alloys have recently gained an attention as promising candidates for thermoelectric applications. Improvement of these alloys for such applications can be obtained by both electronic and compositional optimizations. The latter can result in a miscibility gap, allowing a phase separation in the nano-scale and consequently a thermal conductivity reduction. Combination of ab initio calculations and statistical thermodynamics was applied for studying the relative stability of a number of superstructures in TiNiSn based alloys. The quasi-binary phase diagram beyond T=0 K for TiNiSn–TiNi 2 Sn solid solutions was calculated using energy parameters extracted from the total energy calculations for ordered structures in the Ni sublattice. We demonstrated that a decomposition of the off-stoichiometric Ni-rich half-Heusler alloy into the stoichiometric TiNiSn phase and into Ni deficient Heusler TiNi 2 Sn phase occurs at elevated temperatures—an effect which recently had been observed experimentally. Furthermore, favorable energetic conditions for antisite defects formation were deduced, based on calculations of the energy of formation, an effect which was explained as a cooperative process of partial disordering on the Ni sublattice. The influence of these two effects on improvement of the thermoelectric performance of TiNiSn based half Heusler compounds is discussed. - Graphical abstract: Phase separation and antisite defects in the thermoelectric TiNiSn alloy, are covered as methods for nanostructuring and thereby enhancement of the thermoelectric potential. - Highlights: • Ab initio calculations/statistical thermodynamics was applied for studying the TiNiSn system. • The phase diagram for TiNiSn–TiNi 2 Sn solid solutions was calculated. • Decomposition of the Ni-rich HH into TiNiSn and Ni deficient TiNi 2 Sn phases was observed. • Favorable energetic conditions for antisite defects formation were deduced

  2. Vacancy site occupation by Co and Ir in half-Heusler ZrNiSn and conversion of the thermoelectric properties from n-type to p-type

    International Nuclear Information System (INIS)

    Kimura, Yoshisato; Tanoguchi, Toshiyasu; Kita, Takuji

    2010-01-01

    The n-type thermoelectric properties of the half-Heusler compound ZrNiSn can be converted to p-type by the addition of Co and Ir. We found that Co and Ir atoms preferably occupy the vacancy sites instead of substituting at Ni sites. This implies that the phase stability of the compound gradually changes towards that of the Heusler compound Zr(Ni,M) 2 Sn, where M is Co and/or Ir. The occupation of vacancy sites by Co and Ir atoms leads to a drastic reduction in lattice thermal conductivity owing to the enhancement of phonon scattering by the solid solution effect.

  3. Systematic ab initio study of half-Heusler materials for optoelectronic applications

    Energy Technology Data Exchange (ETDEWEB)

    Gruhn, Thomas; Felser, Claudia [Institute of Inorganic and Analytical Chemistry, Johannes Gutenberg University, Mainz (Germany)

    2010-07-01

    The development of new, optimized optoelectronic devices depends crucially on the availability of semiconductors with taylored electronic and structural properties. At the moment, the majority of applications is based on a rather small set of semiconducting materials, while many more semiconductors exist in the huge class of ternary compounds. Especially, the class of 8-electron half-Heusler materials comprises a large number semiconducters with various properties. With the help of ab initio density functional theory we have studied essentially all 8-electron half-Heusler compounds that are of technological relevance. For more than 650 compounds we have determined the optimum configuration by varying the lattice constant and permuting the elements over the sublattices. Within this exceptionally large data set we have studied the band structure and the lattice constants as a function of the electronegativities of the elements, the arrangement of the atoms, and the atomic radii. The results are used to select suitable materials for the buffer layer in thin-film solar cells with a Cu(In,Ga)Se{sub 2} (CIGS) absorber layer. Considering the bandgap and the geometrical matching with the CIGS film, we have obtained a set of 29 compounds that are promissing materials for cadmium-free CIGS buffer layer.

  4. Half-Heusler (TiZrHf)NiSn Unileg Module with High Powder Density.

    Science.gov (United States)

    Populoh, Sascha; Brunko, Oliver C; Gałązka, Krzysztof; Xie, Wenjie; Weidenkaff, Anke

    2013-03-27

    (TiZrHf)NiSn half-Heusler compounds were prepared by arc melting and their thermoelectric properties characterized in the temperature range between 325 K and 857 K, resulting in a Figure of Merit ZT ≈ 0.45. Furthermore, the prepared samples were used to construct a unileg module. This module was characterized in a homemade thermoelectric module measurement stand and yielded 275 mW/cm² and a maximum volumetric power density of 700 mW/cm³. This was reached using normal silver paint as a contacting material; from an improved contacting, much higher power yields are to be expected.

  5. Review and Extension of CO2-Based Methods to Determine Ventilation Rates with Application to School Classrooms

    Directory of Open Access Journals (Sweden)

    Stuart Batterman

    2017-02-01

    Full Text Available The ventilation rate (VR is a key parameter affecting indoor environmental quality (IEQ and the energy consumption of buildings. This paper reviews the use of CO2 as a “natural” tracer gas for estimating VRs, focusing on applications in school classrooms. It provides details and guidance for the steady-state, build-up, decay and transient mass balance methods. An extension to the build-up method and an analysis of the post-exercise recovery period that can increase CO2 generation rates are presented. Measurements in four mechanically-ventilated school buildings demonstrate the methods and highlight issues affecting their applicability. VRs during the school day fell below recommended minimum levels, and VRs during evening and early morning were on the order of 0.1 h−1, reflecting shutdown of the ventilation systems. The transient mass balance method was the most flexible and advantageous method given the low air change rates and dynamic occupancy patterns observed in the classrooms. While the extension to the build-up method improved stability and consistency, the accuracy of this and the steady-state method may be limited. Decay-based methods did not reflect the VR during the school day due to heating, ventilation and air conditioning (HVAC system shutdown. Since the number of occupants in classrooms changes over the day, the VR expressed on a per person basis (e.g., L·s−1·person−1 depends on the occupancy metric. If occupancy measurements can be obtained, then the transient mass balance method likely will provide the most consistent and accurate results among the CO2-based methods. Improved VR measurements can benefit many applications, including research examining the linkage between ventilation and health.

  6. A first-principle investigation of spin-gapless semiconductivity, half-metallicity, and fully-compensated ferrimagnetism property in Mn{sub 2}ZnMg inverse Heusler compound

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Xiaotian [School of Material Sciences and Engineering, Hebei University of Technology, Tianjin 300130 (China); Institute for Superconducting & Electronic Materials (ISEM), University of Wollongong, Wollongong 2500 (Australia); Cheng, Zhenxiang, E-mail: cheng@uow.edu.au [Institute for Superconducting & Electronic Materials (ISEM), University of Wollongong, Wollongong 2500 (Australia); Khenata, Rabah [Laboratoire de Physique Quantique, de la Matière et de la Modélisation Mathématique (LPQ3M), Université de Mascara, Mascara 29000 (Algeria); Rozale, Habib [Condensed Matter and Sustainable Development Laboratory, Physics Department, University of Sidi-Bel-Abbès, 22000 Sidi-Bel-Abbès (Algeria); Wang, Jianli [Institute for Superconducting & Electronic Materials (ISEM), University of Wollongong, Wollongong 2500 (Australia); Wang, Liying; Guo, Ruikang [School of Material Sciences and Engineering, Hebei University of Technology, Tianjin 300130 (China); Liu, Guodong, E-mail: gdliu1978@126.com [School of Material Sciences and Engineering, Hebei University of Technology, Tianjin 300130 (China)

    2017-02-01

    Recently, spin-gapless semiconductors (SGSs) and half-metallic materials (HMMs) have received considerable interest in the fields of materials sciences and solid-state physics because they can provide a high degree of spin polarization in electron transport. The results on band structure calculations reveal that the metallic fully-compensated ferrimagnet (M-FCF) Mn{sub 2}ZnMg becomes half-metallic fully-compensated ferrimagnet (HM-FCF), fully-compensated ferrimagnetic semiconductor (FCF-S) and fully-compensated ferrimagnetic spin-gapless semiconductor (FCF-SGS) if the uniform strain applied. However, the metallic fully-compensated ferrimagnetism property of the Mn{sub 2}ZnMg is robust to the tetragonalization. The structure stability based on the calculations of the cohesion energy and the formation energy of this compound has been tested. Furthermore, a magnetic state transition from antiferromagentic (AFM) state to non-magnetic (NM) state can be observed at the lattice constant of 5.20 Å. - Highlights: • Mn{sub 2}ZnMg is a M-FCF at its equilibrium lattice constant. • We study the effect of uniform strain on the physical nature transition of Mn{sub 2}ZnMg. • The M-FCF property of the Mn{sub 2}ZnMg is robust to the tetragonalization. • A magnetic phase transition occurs at 5.20 Å.

  7. Study of electronic structure and magnetic properties of epitaxial Co{sub 2}FeAl Heusler Alloy Thin Films

    Energy Technology Data Exchange (ETDEWEB)

    Soni, S. [Department of Pure & Applied Physics, University of Kota, Kota 324007 (India); Dalela, S., E-mail: sdphysics@rediffmail.com [Department of Pure & Applied Physics, University of Kota, Kota 324007 (India); Sharma, S.S. [Department of Physics, Govt. Women Engineering College, Ajmer (India); Liu, E.K.; Wang, W.H.; Wu, G.H. [State Key Laboratory for Magnetism, Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China); Kumar, M. [Department of Physics, Malviya National Institute of Technology, Jaipur-302017 (India); Garg, K.B. [Department of Physics, University of Rajasthan, Jaipur-302004 (India)

    2016-07-25

    This work reports the magnetic and electronic characterization of plane magnetized buried Heusler Co{sub 2}FeAl nano thin films of different thickness by X-ray absorption spectroscopy (XAS) and X-ray magnetic circular dichroism (XMCD) measurements. . The spectra on both Fe- and Co L{sub 2,3} edges show a pronounced magnetic dichroic signal in remanence, corresponding to a ferromagnetically-aligned moments on Fe and Co atoms conditioning the peculiar characteristics of the Co{sub 2}FeAl Heusler compound (a half-metallic ferromagnet). The detailed knowledge of the related magnetic and electronic properties of these samples over a wide range of thickness of films are indispensable for achieving a higher tunnel magnetoresistance ratio, and thus for spintronics device applications. - Highlights: • Electronic structure and Magnetic Properties of Epitaxial Co{sub 2}FeAl Heusler Films. • X-ray absorption spectroscopy (XAS) and X-ray magnetic circular dichroism (XMCD). • Fe- and Co L{sub 2,3} edges show a pronounced magnetic dichroic signal in remanence. • Calculated Orbital, Spin and total magnetic moments of Fe and Co for 30 nm Co{sub 2}FeAl thin film. • The total magnetic moment of Fe at L{sub 2,3} edges increases with the thickness of the Co2FeAl films.

  8. Performance of supercritical Brayton cycle using CO2-based binary mixture at varying critical points for SFR applications

    International Nuclear Information System (INIS)

    Jeong, Woo Seok; Jeong, Yong Hoon

    2013-01-01

    Highlights: • Supercritical CO 2 -based gas mixture Brayton cycles were investigated for a SFR. • The critical point of CO 2 is the lowest cycle operating limit of the S-CO 2 cycles. • Mixing additives with CO 2 changes the CO 2 critical point. • CO 2 –Xe and CO 2 –Kr cycles achieve higher cycle efficiencies than the S-CO 2 cycles. • CO 2 –H 2 S and CO 2 –cyclohexane cycles perform better at higher heat sink temperatures. -- Abstract: The supercritical carbon dioxide Brayton cycle (S-CO 2 cycle) has attracted much attention as an alternative to the Rankine cycle for sodium-cooled fast reactors (SFRs). The higher cycle efficiency of the S-CO 2 cycle results from the considerably decreased compressor work because the compressor behaves as a pump in the proximity of the CO 2 vapor–liquid critical point. In order to fully utilize this feature, the main compressor inlet condition should be controlled to be close to the critical point of CO 2 . This indicates that the critical point of CO 2 is a constraint on the minimum cycle condition for S-CO 2 cycles. Modifying the CO 2 critical point by mixing additive gases could be considered as a method of enhancing the performance and broadening the applicability of the S-CO 2 cycle. Due to the drastic fluctuations of the thermo-physical properties of fluids near the critical point, an in-house cycle analysis code using the NIST REFPROP database was implemented. Several gases were selected as potential additives considering their thermal stability and chemical interaction with sodium in the temperature range of interest and the availability of the mixture property database: xenon, krypton, hydrogen sulfide, and cyclohexane. The performances of the optimized CO 2 -containing binary mixture cycles with simple recuperated and recompression layouts were compared with the reference S-CO 2 , CO 2 –Ar, CO 2 –N 2 , and CO 2 –O 2 cycles. For the decreased critical temperatures, the CO 2 –Xe and CO 2

  9. Growth and transport properties of thin Co-based Heusler films; Wachstum und Transporteigenschaften duenner Co-basierter Heusler-Filme

    Energy Technology Data Exchange (ETDEWEB)

    Schneider, Horst

    2010-07-01

    During this work, thin films of Co-based Heusler compounds were deposited under optimized conditions, and their structural, magnetic, and transport properties were investigated. The growth of the thin film samples was accomplished by two different methods. At first Co{sub 2}Cr{sub 0.6}Fe{sub 0.4}Al and Co{sub 2}FeSi were deposited by sputter deposition from stoichiometric targets. This is considered the standard technique for the preparation of thin Heusler films. Also for the compounds investigated here it resulted in samples with a high degree of L2{sub 1} ordering. An excess of Fe atoms on Si sites was discovered by a detailed X-ray analysis in conjunction with NMR spectroscopy. The choice of different substrates allowed the adjustment of the growth direction. On the other hand, bulk magnetometry revealed that these sputter deposited films exhibit only a reduced magnetic moment, which is an indication of a reduced spin asymmetry at the Fermi level. One source of this problem seems to be a high residual gas pressure, which leads to an increased sample contamination. To improve this situation, a pulsed laser deposition system was constructed and put into operation. The resulting film growth under ultra-high vacuum conditions led to a further improvement of the short-range crystallographic ordering and a clear enhancement of the magnetic properties. The additional use of a metallic buffer layer resulted in samples with a smooth surface. This opens the door for a number of further analytical experiments, such as tunneling spectroscopy or Brillouin light scattering. After this successful demonstration of this growth technique, an additional method for the flexible variation of the film stoichiometry was implemented. In this work, this method was successfully applied in the deposition of Co{sub 2}Mn{sub 1-x}Fe{sub x}Si films. All samples in this series show a high degree of atomic ordering. Their magnetization values are compatible with the Slater-Pauling rule for

  10. Materials Screening for the Discovery of New Half-Heuslers: Machine Learning versus ab Initio Methods.

    Science.gov (United States)

    Legrain, Fleur; Carrete, Jesús; van Roekeghem, Ambroise; Madsen, Georg K H; Mingo, Natalio

    2018-01-18

    Machine learning (ML) is increasingly becoming a helpful tool in the search for novel functional compounds. Here we use classification via random forests to predict the stability of half-Heusler (HH) compounds, using only experimentally reported compounds as a training set. Cross-validation yields an excellent agreement between the fraction of compounds classified as stable and the actual fraction of truly stable compounds in the ICSD. The ML model is then employed to screen 71 178 different 1:1:1 compositions, yielding 481 likely stable candidates. The predicted stability of HH compounds from three previous high-throughput ab initio studies is critically analyzed from the perspective of the alternative ML approach. The incomplete consistency among the three separate ab initio studies and between them and the ML predictions suggests that additional factors beyond those considered by ab initio phase stability calculations might be determinant to the stability of the compounds. Such factors can include configurational entropies and quasiharmonic contributions.

  11. Vacancy induced half-metallicity in half-Heusler semiconductors

    KAUST Repository

    Zhu, Zhiyong; Cheng, Yingchun; Schwingenschlö gl, Udo

    2011-01-01

    First-principles calculations are performed to investigate the effect of vacancies on the electronic structure and magnetic properties of the two prototypical half-Heusler semiconductors NiTiSn and CoTiSb. The spin degeneracy of the host materials

  12. Achieving perpendicular anisotropy in half-metallic Heusler alloys for spin device applications

    Science.gov (United States)

    Munira, Kamaram; Romero, Jonathon; Butler, William H.

    2014-05-01

    Various full Heusler alloys are interfaced with MgO and the magnetic properties of the Heusler-MgO junctions are studied. Next to MgO, the cubic Heusler system distorts to a tetragonal one, thereby inducing an anisotropy. The half-metallicity and nature of anisotropy (in-plane or perpendicular) in the Heusler-MgO system is governed mostly by the interface Heusler layers. There is a trend that Mn-O bonding near the MgO-Heusler junction results in perpendicular anisotropy. The ability to remain half-metallic and have perpendicular anisotropy makes some of these alloys potential candidates as free-layers in Spin Transfer Torque Random Access Memory (STT-RAM) devices, particularly, Cr2MnAs-MgO system with MnAs interface layers and Co2MnSi-MgO system with Mn2 interface layers.

  13. Band structure of the quaternary Heusler alloys ScMnFeSn and ScFeCoAl

    Science.gov (United States)

    Shanthi, N.; Teja, Y. N.; Shaji, Shephine M.; Hosamani, Shashikala; Divya, H. S.

    2018-04-01

    In our quest for materials with specific applications, a theoretical study plays an important role in predicting the properties of compounds. Heusler alloys or compounds are the most studied in this context. More recently, a lot of quaternary Heusler compounds are investigated for potential applications in fields like Spintronics. We report here our preliminary study of the alloys ScMnFeSn and ScFeCoAl, using the ab-initio linear muffin-tin orbital method within the atomic sphere approximation (LMTO-ASA). The alloy ScMnFeSn shows perfect half-metallicity, namely, one of the spins shows a metallic behaviour and the other spin shows semi-conducting behaviour. Such materials find application in devices such as the spin-transfer torque random access memory (STT-MRAM). In addition, the alloy ScMnFeSn is found to have an integral magnetic moment of 4 µB, as predicted by the Slater-Pauling rule. The alloy ScFeCoAl does not show half-metallicity.

  14. Influence of disorder and interfaces on electronic and magnetic properties of Heusler systems; Einfluss von Unordnung und Grenzflaechen auf elektronische und magnetische Eigenschaften von Heusler-Systemen

    Energy Technology Data Exchange (ETDEWEB)

    Krumme, Bernhard

    2012-07-17

    A Moessbauer-spectroscopic investigation of Fe{sub 3} films on GaAs(100) and MgO(100) revealed a disordered growth mode of Fe{sub 3}Si on GaAs(100), which is caused by an interdiffusion of Ga/As atoms. Implementing a 3 nm thick MgO tunnelbarrier on the GaAs suface inhibits the interdiffusion and enables an epitaxial film growth of Fe{sub 3}Si. By comparing experimental X-ray absorption measurements with DFT calculations we are able to resolve the contribution of the different Fe sublattices to the XAS and XMCD signal. Taking into account atomic disorder arising from Ga/As atoms within DFT calculation yields a small reduction of the spin polarization of Fe{sub 3}Si, indicating that the system Fe{sub 3}Si/GaAs(100) still is an interesting candidate for spintronic applications. For the Heusler compounds Co{sub 2}MnSi and Co{sub 2}FeSi the influence of the 3d transition metals Mn/Fe on the hybridization was determined by X-ray absorption and DFT calculations. A depth-selective study of the electronic structure of Mn in Co{sub 2}MnSi at the vicinity to a MgO tunnelbarrier indicates an increased number of unoccupied d states referring a MnSi terminated interface. The electronic structure of Si-rich Co{sub 2}FeSi depends on the external magnetic field. This points to magnetostrictive effects in this compound. Furthermore, the Heusler compound Ni{sub 51.6}Mn{sub 32.9}Sn{sub 15.5} was studied in this work. The compound is a shape memory alloy exhibiting a large inverse magnetocaloric effect. In this work the focus was put on the element-specific magnetic properties of Ni and Mn. For Mn a strong increase of the ratio of orbital to spin magnetic moment m{sub l}/m{sub S} was observed. In the austenite phase this ratio accounts for 5 %, whereas in the martensite this value becomes 13.5 %. For Ni m{sub l}/m{sub S} is almost constant at 28 %. applying a magnetic field of 3 T in the martensite phase leads to a reduction of m{sub l}/m{sub S} for both elements, indicating a field

  15. Investigation of attractive and repulsive interactions associated with ketones in supercritical CO2, based on Raman spectroscopy and theoretical calculations.

    Science.gov (United States)

    Kajiya, Daisuke; Saitow, Ken-ichi

    2013-08-07

    Carbonyl compounds are solutes that are highly soluble in supercritical CO2 (scCO2). Their solubility governs the efficiency of chemical reactions, and is significantly increased by changing a chromophore. To effectively use scCO2 as solvent, it is crucial to understand the high solubility of carbonyl compounds, the solvation structure, and the solute-solvent intermolecular interactions. We report Raman spectroscopic data, for three prototypical ketones dissolved in scCO2, and four theoretical analyses. The vibrational Raman spectra of the C=O stretching modes of ketones (acetone, acetophenone, and benzophenone) were measured in scCO2 along the reduced temperature Tr = T∕Tc = 1.02 isotherm as a function of the reduced density ρr = ρ∕ρc in the range 0.05-1.5. The peak frequencies of the C=O stretching modes shifted toward lower energies as the fluid density increased. The density dependence was analyzed by using perturbed hard-sphere theory, and the shift was decomposed into attractive and repulsive energy components. The attractive energy between the ketones and CO2 was up to nine times higher than the repulsive energy, and its magnitude increased in the following order: acetone attractive energy and optimized the relative configuration between each solute and CO2. According to theoretical calculations for the dispersion energy, the dipole-induced-dipole interaction energy, and the frequency shift due to their interactions, the experimentally determined attractive energy differences in the three solutes were attributed to the dispersion energies that depended on a chromophore attached to the carbonyl groups. It was found that the major intermolecular interaction with the attractive shift varied from dipole-induced dipole to dispersion depending on the chromophore in the ketones in scCO2. As the common conclusion for the Raman spectral measurements and the four theoretical calculations, solute polarizability, modified by the chromophore, was at the core of

  16. Local moments and electronic correlations in Fe-based Heusler alloys: Kα x-ray emission spectra measurements

    International Nuclear Information System (INIS)

    Svyazhin, Artem; Kurmaev, Ernst; Shreder, Elena; Shamin, Sergey; Sahle, Christoph J.

    2016-01-01

    Heusler alloys are a property-rich class of materials, intensively investigated today from both theoretical and real-world application points of view. In this paper, we attempt to shed light on the role of electronic correlations in the Fe_2MeAl group (where Me represents all 3d elements from Ti to Ni) of Heusler alloys. For this purpose, we have investigated the local moments of iron by means of the x-ray emission spectroscopy technique. To obtain numerical values of local moments, the Kα-FWHM method has been employed for the first time. In every compound of the group, the presence of a local moment on the Fe atom was detected. As has been revealed, the values of these moments are temperature-independent, pointing to an insufficiency of a pure itinerant approach to magnetism in these alloys. We also comprehensively compare the usage of Kβ main lines and Kα spectra as tools for the probing of local moments and point out the significant advantages of the latter. - Highlights: • Local spin moments of iron in Fe_2MeAl (Me = Ti … Ni) Heusler alloys were investigated by means of x-ray emission spectroscopy. • Independence of the local moments from temperature confirms their localized nature. • A local moment value of iron in Fe_2MeAl raises with the atomic number of element Me. • The applicability of the Kα x-ray emission line for extracting local moment values of 3d elements was established.

  17. Hyperfine field at 111Cd nuclei in Heusler alloys

    International Nuclear Information System (INIS)

    Styczen, B.; Walus, W.; Szytula, A.

    1978-01-01

    The magnitudes and signs of the hyperfine fields in the ordered ferromagnetic Heusler Alloys X 2 MnZ and XMnZ (where X is Cu, Ni, Pd while Z is In, Sn and Sb) have been investigated at liquid nitrogen and room temperatures using TDPAC method. Their signs have been found to be negative. The results have been compared with the predictions of Caroll-Blandin and Cambell-Blandin models and RKKY theory. (Auth)

  18. Electronic structure, magnetic and transport properties of the Heusler shape memory alloy Mn{sub 2}NiGa

    Energy Technology Data Exchange (ETDEWEB)

    Blum, C.G.F. [Institute of Inorganic and Analytical Chemistry, Johannes Gutenberg - University, Mainz (Germany); Institute of Solid State Research, IFW Dresden, D-01171 Dresden (Germany); Ouardi, S.; Fecher, G.H.; Balke, B.; Felser, C. [Institute of Inorganic and Analytical Chemistry, Johannes Gutenberg - University, Mainz (Germany); Wurmehl, S.; Buechner, B. [Institute of Solid State Research, IFW Dresden, D-01171 Dresden (Germany); Ueda, S.; Kobayashi, K. [NIMS Beamline Station, National Institute for Materials Science, Hyogo 679-5148, Japan. (Germany)

    2011-07-01

    Magnetic shape memory based on Heusler compounds have received increasing interest, due their potential use for actuator and sensor applications. The single crystals Mn{sub 2}NiGa were grown by the optical floating zone method using a image furnace with vertical setup under a purified argon atmosphere. The both cubic (austenite) and tetragonal (martensite) phases of the sample were determined using temperature dependence powder x-ray diffraction XRD. The effect of martensitic transitions on the magnetic and transport properties of the compound was investigated by measuring the saturation magnetization, electrical resistivity {rho}(T), the Seebeck coefficient S(T) and magnetoresistance R{sub M}. All measurements detect clear signatures of the martensitic transition around room temperature with a thermal hysteresis up to 30 K. The electronic structures of the martensitic as well the austenitic phase were investigated using bulk-sensitive hard X-ray photoelectron spectroscopy (HAXPES).

  19. First-principles study of new series of quaternary Heusler alloys CsSrCZ (Z=Si, Ge, Sn, P, As, and Sb)

    Energy Technology Data Exchange (ETDEWEB)

    Bouabça, A. [Condensed Matter and Sustainable Development Laboratory (LMCDD), University of Sidi Bel-Abbes, Sidi Bel-Abbes 22000 (Algeria); Rozale, H., E-mail: hrozale@yahoo.fr [Condensed Matter and Sustainable Development Laboratory (LMCDD), University of Sidi Bel-Abbes, Sidi Bel-Abbes 22000 (Algeria); Amar, A. [Condensed Matter and Sustainable Development Laboratory (LMCDD), University of Sidi Bel-Abbes, Sidi Bel-Abbes 22000 (Algeria); Wang, X.T. [School of Physics and Electronic Engineering, Chongqing Normal University, Chongqing 400044 (China); Sayade, A. [UCCS, CNRS-UMR 8181, Université d’Artois, Faculté des Sciences Jean Perrin, Rue Jean Souvraz, SP 18, 62307 Lens Cedex (France); Chahed, A. [Condensed Matter and Sustainable Development Laboratory (LMCDD), University of Sidi Bel-Abbes, Sidi Bel-Abbes 22000 (Algeria)

    2016-12-01

    The structural, electronic, magnetic, and thermal properties of new quaternary Heusler alloys CsSrCZ (Z=Si, Ge, Sn, P, As, and Sb) were investigated using the full-potential linearized augmented plane wave (FPLAPW) within the generalized gradient approximation (GGA) and GGA plus modified Becke and Johnson as the exchange correlation. The results showed that all Heusler compounds were stable in Type (I) structure. The CsSrCZ (Z=Si, Ge, Sn) compounds had a nearly HM characteristic, and CsSrCZ (Z=P, As, Sb) compounds were true half-metallic (HM) ferromagnets. The strong spin polarization of p orbital for C, Si, Ge, Sn, P, As, and Sb atoms is found to be the origin of ferromagnetic. The half-metallicity is preserved up to a lattice contraction of 3.45%, 1.69%, 1.69%, 7.16%, 7.16%, and 11.2% for all six quaternary Heusler compounds. We also investigated the thermal effects using the quasi-harmonic Debye model. - Highlights: • Electronic, magnetic, and thermodynamic properties of CsSrCZ (Z=Si, Ge, Sn, P, As, and Sb) are investigated. • Until now, there have been no reports theoretical and experimental studies on d{sup 0} half-metals with quaternary structures. • The strong spin polarization of p orbital for C, Si, Ge, Sn, P, As, and Sb atoms is found to be the origin of ferromagnetic. • The half-metallicity is preserved up to a lattice contraction.

  20. Band structure and thermoelectric properties of half-Heusler semiconductors from many-body perturbation theory

    Science.gov (United States)

    Zahedifar, Maedeh; Kratzer, Peter

    2018-01-01

    Various ab initio approaches to the band structure of A NiSn and A CoSb half-Heusler compounds (A = Ti, Zr, Hf) are compared and their consequences for the prediction of thermoelectric properties are explored. Density functional theory with the generalized-gradient approximation (GGA), as well as the hybrid density functional HSE06 and ab initio many-body perturbation theory in the form of the G W0 approach, are employed. The G W0 calculations confirm the trend of a smaller band gap (0.75 to 1.05 eV) in A NiSn compared to the A CoSb compounds (1.13 to 1.44 eV) already expected from the GGA calculations. While in A NiSn materials the G W0 band gap is 20% to 50% larger than in HSE06, the fundamental gap of A CoSb materials is smaller in G W0 compared to HSE06. This is because G W0 , similar to PBE, locates the valence band maximum at the L point of the Brillouin zone, whereas it is at the Γ point in the HSE06 calculations. The differences are attributed to the observation that the relative positions of the d levels of the transition metal atoms vary among the different methods. Using the calculated band structures and scattering rates taking into account the band effective masses at the extrema, the Seebeck coefficients, thermoelectric power factors, and figures of merit Z T are predicted for all six half-Heusler compounds. Comparable performance is predicted for the n -type A NiSn materials, whereas clear differences are found for the p -type A CoSb materials. Using the most reliable G W0 electronic structure, ZrCoSb is predicted to be the most efficient material with a power factor of up to 0.07 W/(K2 m) at a temperature of 600 K. We find strong variations among the different ab initio methods not only in the prediction of the maximum power factor and Z T value of a given material, but also in comparing different materials to each other, in particular in the p -type thermoelectric materials. Thus we conclude that the most elaborate, but also most costly G W0

  1. Equiatomic quaternary Heusler alloys: A material perspective for spintronic applications

    Energy Technology Data Exchange (ETDEWEB)

    Bainsla, Lakhan, E-mail: lakhanbainsla@gmail.com, E-mail: suresh@phy.iitb.ac.in; Suresh, K. G., E-mail: lakhanbainsla@gmail.com, E-mail: suresh@phy.iitb.ac.in [Magnetic Materials Lab, Department of Physics, Indian Institute of Technology Bombay, Mumbai 400076 (India)

    2016-09-15

    Half-metallic ferromagnetic (HMF) materials show high spin polarization and are therefore interesting to researchers due to their possible applications in spintronic devices. In these materials, while one spin sub band has a finite density of states at the Fermi level, the other sub band has a gap. Because of their high Curie temperature (T{sub C}) and tunable electronic structure, HMF Heusler alloys have a special importance among the HMF materials. Full Heusler alloys with the stoichiometric composition X{sub 2}YZ (where X and Y are the transition metals and Z is a sp element) have the cubic L2{sub 1} structure with four interpenetrating fcc sublattices. When each of these four fcc sublattices is occupied by different atoms (XX′YZ), a quaternary Heusler structure with different structural symmetries (space group F-43m, #216) is obtained. Recently, these equiatomic quaternary Heusler alloys (EQHAs) with 1:1:1:1 stoichiometry have attracted a lot of attention due to their superior magnetic and transport properties. A special class of HMF materials identified recently is known as spin gapless semiconductors (SGS). The difference in this case, compared with HMFs, is that the density of states for one spin band is just zero at the Fermi level, while the other has a gap as in the case of HMFs. Some of the reported SGS materials belong to EQHAs family. This review is dedicated to almost all reported materials belonging to EQHAs family. The electronic structure and hence the physical properties of Heusler alloys strongly depend on the degree of structural order and distribution of the atoms in the crystal lattice. A variety of experimental techniques has been used to probe the structural parameters and degree of order in these alloys. Their magnetic properties have been investigated using the conventional methods, while the spin polarization has been probed by point contact Andreev reflection technique. The experimentally obtained values of saturation magnetization are

  2. Electronic structure and magnetic properties of quaternary Heusler alloys CoRhMnZ (Z = Al, Ga, Ge and Si) via first-principle calculations

    Energy Technology Data Exchange (ETDEWEB)

    Benkabou, M. [Laboratoire des Matériaux Magnétiques, Faculté des Sciences, Université DjillaliLiabès de Sidi Bel-Abbès, Sidi Bel-Abbès 22000 (Algeria); Rached, H. [Laboratoire des Matériaux Magnétiques, Faculté des Sciences, Université DjillaliLiabès de Sidi Bel-Abbès, Sidi Bel-Abbès 22000 (Algeria); Département de Physique, Faculté des Sciences, Université Hassiba Benbouali, Chlef 02000 (Algeria); Abdellaoui, A. [Laboratoire des Matériaux Magnétiques, Faculté des Sciences, Université DjillaliLiabès de Sidi Bel-Abbès, Sidi Bel-Abbès 22000 (Algeria); Rached, D., E-mail: rachdj@yahoo.fr [Laboratoire des Matériaux Magnétiques, Faculté des Sciences, Université DjillaliLiabès de Sidi Bel-Abbès, Sidi Bel-Abbès 22000 (Algeria); Khenata, R. [Laboratoire de Physique Quantique et de Modélisation Mathématique de la Matière, (LPQ3M), Université de Mascara, Mascara 29000 (Algeria); and others

    2015-10-25

    First-principle calculations are performed to predict the electronic structure and elastic and magnetic properties of CoRhMnZ (Z = Al, Ga, Ge and Si) Heusler alloys. The calculations employ the full-potential linearized augmented plane wave. The exchange-correlations are treated within the generalized gradient approximation of Perdew–Burke and Ernzerhof (GGA-PBE). The electronic structure calculations show that these compounds exhibit a gap in the minority states band and are clearly half-metallic ferromagnets, with the exception of the CoRhMnAl and CoRhMnGa, which are simple ferromagnets that are nearly half metallic in nature. The CoRhMnGe and CoRhMnSi compounds and their magnetic moments are in reasonable agreement with the Slater-Pauling rule, which indicates the half metallicity and high spin polarization for these compounds. At the pressure transitions, these compounds undergo a structural phase transition from the Y-type I → Y-type II phase. We have determined the elastic constants C{sub 11}, C{sub 12} and C{sub 44} and their pressure dependence, which have not previously been established experimentally or theoretically. - Highlights: • Based on DFT calculations, CoRhMnZ (Z = Al, Ga, Ge and Si) Heusler alloys were investigated. • The magnetic phase stability was determined from the total energy calculations. • The mechanical properties were investigated.

  3. Magnetocaloric effect in Heusler shape-memory alloys

    International Nuclear Information System (INIS)

    Planes, A.; Manosa, Ll.; Moya, X.; Krenke, T.; Acet, M.; Wassermann, E.F.

    2007-01-01

    We present a comparative study of the magnetocaloric properties of Ni-Mn-X Heusler shape-memory alloys with X=Ga, Sn and In. In these materials, the magnetocaloric effect is a consequence of the magnetostructural coupling that enables the magnetic shape-memory properties. We show that inverse magnetocaloric effects can occur in these materials. The origin of this anomalous behavior is different in stoichiometric Ni 2 MnGa and in Ni-Mn-Sn/In. In the former case it is related to the strong uniaxial magnetic anisotropy of the martensitic phase, while in the later it is an intrinsic effect associated with an incipient antiferromagnetism

  4. Hyperfine magnetic fields at 111Cd in Heusler alloys

    International Nuclear Information System (INIS)

    Styczen, B.; Szytula, A.; Walus, W.

    1977-01-01

    The magnitudes and signs of the hyperfine magnetic field on 111 Cd nuclei at Z sites in the ordered ferromagnetic Heusler alloys X 2 MnZ and XMnZ (where X is Cu, Ni, Pd while Z is In, Sn and Sb) have been investigated at liquid nitrogen and room temperatures using TDPAC method. Their signs have been found to be negative. The results have been compared with the predictions of Caroli-Blandin and Campbell-Blandin models and RKKY theory. (author)

  5. Optimized thermoelectric performance of the n-type half-Heusler material TiNiSn by substitution and addition of Mn

    Directory of Open Access Journals (Sweden)

    Enkhtaivan Lkhagvasuren

    2017-04-01

    Full Text Available Alloys based on the half-Heusler compound TiNiSn with the addition of Mn or with a substitution of Ti by Mn are investigated as high-temperature thermoelectric materials. In both materials an intrinsic phase separation is observed, similar to TiNiSn where Ti has been partially substituted by Hf, with increasing Mn concentration the phase separation drastically reduces the lattice thermal conductivity while the power factor is increased. The thermoelectric performance of the n-type conducting alloy can be optimized both by substitution of Ti by Mn as well as the addition of Mn.

  6. Ideal Point Design and Operation of CO2-Based Transcritical Rankine Cycle (CTRC System Based on High Utilization of Engine’s Waste Heats

    Directory of Open Access Journals (Sweden)

    Lingfeng Shi

    2017-10-01

    Full Text Available This research conducted a study specially to systematically analyze combined recovery of exhaust gas and engine coolant and related influence mechanism, including a detailed theoretical study and an assistant experimental study. In this research, CO2-based transcritical Rankine cycle (CTRC was used for fully combining the wastes heats. The main objective of theoretical research was to search an ‘ideal point’ of the recovery system and related influence mechanism, which was defined as operating condition of complete recovery of two waste heats. The theoretical methodology of this study could also provide a design reference for effective combined recovery of two or multiple waste heats in other fields. Based on a kW-class preheated CTRC prototype that was designed by the ‘ideal point’ method, an experimental study was conducted to verify combined utilization degree of two engine waste heats by the CTRC system. The operating results showed that the prototype can gain 44.4–49.8 kW and 22.7–26.7 kW heat absorption from exhaust gas and engine coolant, respectively. To direct practical operation, an experimental optimization work on the operating process was conducted for complete recovery of engine coolant exactly, which avoided deficient or excessive recovery.

  7. Half-metallic ferromagnetism in (Z B, Al, Ga, and In) Heusler alloys ...

    Indian Academy of Sciences (India)

    K H SADEGHI

    2018-01-03

    11], and zincblende (ZB) transition-metal pnictides and chalcogenides [12–17]. Among HM ferromagnets, Heusler alloys are attractive because of their technical applications (in spin-injection devices [18], spin-filters [19], ...

  8. Experimental study of the electric resistivity in Heusler alloys

    International Nuclear Information System (INIS)

    Kunzler, J.V.

    1980-01-01

    Electrical resistivity measurements have been performed in the Cu 2 Mn (A1sub(1-x) Snsub(x)) Heusler alloys, where x = 0, 0.05, 0.10 and 0.15, in the temperature range from 4.2 to 800 0 K. Measurements have also been made on the Ni 2 MnX Heusler asloys, with X = In, Sn or Sb, in the range from 4.2 to 300 0 K. The experimental curves clearly show the importance of the ferromagnetic character for the alloys resistivity. The results obtained for the copper alloys, as well as for the Ni 2 MnSn alloy, are in agreement with an interpretation in terms of Bloch-Gruneisen and spin-disorder models, and fail to provide evidences of s-d scattering for the conduction electrons. This is not the case for the Ni 2 MnIn and Ni 2 MnSb alloys, in which the presence of (s-d) interband electronic scattering process, via phonon, was detected. Specially for the two last alloys specific heat and electronic photo-emissivity experiments are suggested. (Author) [pt

  9. Hybrid Spintronic Structures With Magnetic Oxides and Heusler Alloys

    DEFF Research Database (Denmark)

    Xu, Y. B.; Hassan, S. S. A.; Wong, P. K. J.

    2008-01-01

    Hybrid spintronic structures, integrating half-metallic magnetic oxides and Heusler alloys with their predicted high spin polarization, are important for the development of second-generation spintronics with high-efficient spin injection. We have synthesized epitaxial magnetic oxide Fe3O4 on Ga......As(100) and the unit cell of the Fe3O4 was found to be rotated by 45 degrees to match the gallium arsenide GaAs. The films were found to have a bulk-like moment down to 3-4 nm and a low coercivity indicating a high-quality magnetic interface. The magnetization hysteresis loops of the ultrathin films...... are controlled by uniaxial magnetic anisotropy. The dynamic response of the sample shows a heavily damped precessional response to the applied field pulses. In the Heusler alloy system of Co-2 MnGa on GaAs, we found that the magnetic moment was reduced for thicknesses down to 10 nm, which may account...

  10. Characteristics of a granular electronic system in Heusler-type Fe2+xV1−xAl

    International Nuclear Information System (INIS)

    Naka, T; Sato, K; Taguchi, M; Nakane, T; Matsushita, A; Shirakawa, N; Ishikawa, F; Yamada, Yuh; Takaesu, Y; Nakama, T

    2013-01-01

    We report comprehensive measurements of the magnetic, transport, and thermal properties of the Heusler-type compound Fe 2+x V 1−x Al, with x values near the ferromagnetic quantum critical point, x c ∼ 0.05. At T ∼ 60 K, a prominent Schottky-like anomaly appeared in the specific heat; this anomaly was correlated with a smaller pseudo-gap formation in magnetic susceptibility, magnetoresistance, and thermoelectric power. Furthermore, a magnetic anomaly observed in the magnetic susceptibility and resistivity at T ∼ 4 K was suppressed significantly by applying a magnetic field. A magnetically inhomogeneous phase arose below T ∼ 60 K, which appeared to consist of ferromagnetic and paramagnetic clusters. (paper)

  11. The pressure dependence of structural, electronic, mechanical, vibrational, and thermodynamic properties of palladium-based Heusler alloys

    Energy Technology Data Exchange (ETDEWEB)

    Coban, Cansu [Balikesir Univ. (Turkey). Dept. of Physics

    2017-07-01

    The pressure dependent behaviour of the structural, electronic, mechanical, vibrational, and thermodynamic properties of Pd{sub 2}TiX (X=Ga, In) Heusler alloys was investigated by ab initio calculations. The lattice constant, the bulk modulus and its first pressure derivative, the electronic band structure and the density of states (DOS), mechanical properties such as elastic constants, anisotropy factor, Young's modulus, etc., the phonon dispersion curves and phonon DOS, entropy, heat capacity, and free energy were obtained under pressure. It was determined that the calculated lattice parameters are in good agreement with the literature, the elastic constants obey the stability criterion, and the phonon dispersion curves have no negative frequency which shows that the compounds are stable. The band structures at 0, 50, and 70 GPa showed valence instability at the L point which explains the superconductivity in Pd{sub 2}TiX (X=Ga, In).

  12. Perpendicular Magnetic Anisotropy in Heusler Alloy Films and Their Magnetoresistive Junctions

    Directory of Open Access Journals (Sweden)

    Atsufumi Hirohata

    2018-01-01

    Full Text Available For the sustainable development of spintronic devices, a half-metallic ferromagnetic film needs to be developed as a spin source with exhibiting 100% spin polarisation at its Fermi level at room temperature. One of the most promising candidates for such a film is a Heusler-alloy film, which has already been proven to achieve the half-metallicity in the bulk region of the film. The Heusler alloys have predominantly cubic crystalline structures with small magnetocrystalline anisotropy. In order to use these alloys in perpendicularly magnetised devices, which are advantageous over in-plane devices due to their scalability, lattice distortion is required by introducing atomic substitution and interfacial lattice mismatch. In this review, recent development in perpendicularly-magnetised Heusler-alloy films is overviewed and their magnetoresistive junctions are discussed. Especially, focus is given to binary Heusler alloys by replacing the second element in the ternary Heusler alloys with the third one, e.g., MnGa and MnGe, and to interfacially-induced anisotropy by attaching oxides and metals with different lattice constants to the Heusler alloys. These alloys can improve the performance of spintronic devices with higher recording capacity.

  13. Magnetic and thermodynamic properties of Heusler alloys Ni55Mn26Al19

    Science.gov (United States)

    Ito, Masakazu; Onda, Keijiro; Taira, Atsushi; Sonoda, Kazuki; Hiroi, Masahiko; Uwatoko, Yoshiya

    2018-05-01

    The temperature dependence of magnetization, M(T), specific heat, Cp(T), and thermal expansion, ΔL/L300K(T) were investigated for the Heusler compound Ni55Mn26Al19 with B2 structure. M(T) has a cusp-type anomaly for the antiferromagnetic (AF) transition at the Néel temperature TN = 280 K that is irreversible between the field-cooled and zero-field-cooled processes below Tf ˜ 60 K, which is characteristic of spin glass. Cp(T) also has an anomaly at TN = 280 K. For temperatures T transformation. TN increases proportionally with pressure, P, because of the enhancement of the AF interaction. The value of its initial rate is estimated to be d/TN d P = 5.25 K/GPa. Tf also increases proportionally with P with d/Tf d P = 2.21 K/GPa, and hence magnetic frustration, which promotes the spin glass system, is enhanced under pressurization.

  14. Thermoelectric performance and the role of anti-site disorder in the 24-electron Heusler TiFe2Sn

    Science.gov (United States)

    Buffon, Malinda L. C.; Laurita, Geneva; Lamontagne, Leo; Levin, Emily E.; Mooraj, Shahryar; Lloyd, Demetrious L.; White, Natalie; Pollock, Tresa M.; Seshadri, Ram

    2017-10-01

    Heusler compounds XY 2 Z with 24 valence electrons per formula unit are potential thermoelectric materials, given their thermal and chemical stability and their relatively earth-abundant constituent elements. We present results on the 24-electron compound TiFe2Sn here. First principles calculations on this compound suggest semiconducting behavior. A relatively flat conduction band that could be associated with a high Seebeck coefficient upon electron doping is found. A series of compounds have been prepared and characterized using a combination of synchrotron x-ray and neutron diffraction studies to understand the effects of site order/disorder phenomena and n-type doping. Samples fabricated by a three step processing approach were subjected to high temperature Seebeck and electrical resistivity measurements. Ti:Fe anti-site disorder is present in the stoichiometric compound and these defects are reduced when starting Ti-rich compositions are employed. Additionally, we investigate control of the Seebeck coefficient through the introduction of carriers through the substitution of Sb on the Sn site in these intrinsically p-type materials.

  15. Thermoelectric performance and the role of anti-site disorder in the 24-electron Heusler TiFe2Sn.

    Science.gov (United States)

    Buffon, Malinda L C; Laurita, Geneva; Lamontagne, Leo; Levin, Emily E; Mooraj, Shahryar; Lloyd, Demetrious L; White, Natalie; Pollock, Tresa M; Seshadri, Ram

    2017-10-11

    Heusler compounds XY 2 Z with 24 valence electrons per formula unit are potential thermoelectric materials, given their thermal and chemical stability and their relatively earth-abundant constituent elements. We present results on the 24-electron compound TiFe 2 Sn here. First principles calculations on this compound suggest semiconducting behavior. A relatively flat conduction band that could be associated with a high Seebeck coefficient upon electron doping is found. A series of compounds have been prepared and characterized using a combination of synchrotron x-ray and neutron diffraction studies to understand the effects of site order/disorder phenomena and n-type doping. Samples fabricated by a three step processing approach were subjected to high temperature Seebeck and electrical resistivity measurements. Ti:Fe anti-site disorder is present in the stoichiometric compound and these defects are reduced when starting Ti-rich compositions are employed. Additionally, we investigate control of the Seebeck coefficient through the introduction of carriers through the substitution of Sb on the Sn site in these intrinsically p-type materials.

  16. The structure, magnetism, and electrical-transport properties of the Heusler alloys Co2Cr1-xFexAl (x=0.2-0.6)

    International Nuclear Information System (INIS)

    Zhang Ming; Wolf, Anne L.; Zhang, L.; Tegus, O.; Brueck, Ekkes; Wu Guangheng; Boer, Frank R. de

    2005-01-01

    We synthesize the polycrystalline Heusler compounds Co 2 Cr 1-x Fe x Al (x=0.2-0.6). The x-ray diffraction patterns show A2 structure rather than L2 1 structure. The magnetic moment and the Curie temperature increase with increasing x. The electrical resistivity characterizes the Co 2 Cr 1-x Fe x Al compounds to be not typical metals and the temperature dependence of the resistivity changes from metallic to semiconductinglike behavior with increasing Cr concentrations. We attribute the fact, which we observe for most of the compounds smaller magnetic moments than the theoretical values and the low magnetoresistance in these alloys, to the considerably high level of Co-(Cr, Fe)-type disorder

  17. Vacancy induced half-metallicity in half-Heusler semiconductors

    KAUST Repository

    Zhu, Zhiyong

    2011-09-28

    First-principles calculations are performed to investigate the effect of vacancies on the electronic structure and magnetic properties of the two prototypical half-Heusler semiconductors NiTiSn and CoTiSb. The spin degeneracy of the host materials is broken for all types of isolated vacancies under consideration, except for Ni-deficient NiTiSn. A half-metallic character is identified in Sn-deficient NiTiSn and Co/Ti/Sb-deficient CoTiSb. We can explain our findings by introducing an extending Slater-Pauling rule for systems with defects. A ferromagnetic ordering of the local moments due to double exchange appears to be likely.

  18. An integrated study of fluid–rock interaction in a CO2-based enhanced geothermal system: A case study of Songliao Basin, China

    International Nuclear Information System (INIS)

    Na, Jin; Xu, Tianfu; Yuan, Yilong; Feng, Bo; Tian, Hailong; Bao, Xinhua

    2015-01-01

    Highlights: • We evaluated the interactions between rock, brine, and CO 2 in CO 2 -EGS using laboratory experiments. • We examined changes of the dissolved ionic composition of the solution. • Minerals dissolve (feldspar and calcite) or precipitate (secondly carbonates). • We used numerical simulations to reproduce chemical processes of CO 2 -EGS. • Numerical simulations were generally consistent with experimental results. - Abstract: The reactive behavior of a mixture of supercritical CO 2 and brine under physical–chemical conditions relevant to the CO 2 -based Enhanced Geothermal System (CO 2 -EGS) is largely unknown. Thus, laboratory experiments and numerical simulations were employed in this study to investigate the fluid–rock interaction occurring in the CO 2 -EGS. Rock samples and thermal–physical conditions specific to the Yingcheng Formation of Songliao Basin, China, an EGS research site, were used. Experiments were conducted by using of reactors at high temperature and pressure. Six batch reaction experiments injected with supercritical CO 2 were designed at temperatures of 150–170 °C and a pressure of 35 MPa. Moreover, a separate experiment at the same experimental conditions without injection of CO 2 was also conducted for comparison. Analyses of scanning electron microscopy (SEM) and X-ray diffraction (XRD) of the resulting solids were conducted to characterize changes in mineral phases. Numerical simulations were also performed under the same conditions as those used in the experiments. Significant mineral alterations were detected at the CO 2 -EGS reservoir, which may change the properties of fluid flow. The presence of supercritical CO 2 led to an dissolution of primary minerals such as calcite and K-feldspar and precipitations of secondary carbonate such as calcite and ankerite. The numerical simulations were generally consistent with laboratory experiments, which provide a tool for scaling the time up for long period of reservoir

  19. Structural, electronic and magnetic properties of Fe{sub 2}-based full Heusler alloys: A first principle study

    Energy Technology Data Exchange (ETDEWEB)

    Dahmane, F., E-mail: fethallah05@gmail.com [Département de SM, Institue des sciences et des technologies, Centre universitaire de Tissemsilt, 38000, Tissemsilt (Algeria); Modelling and Simulation in Materials Science Laboratory, Physics Department, University of Sidi Bel-Abbes, 22000 Sidi Bel-Abbes (Algeria); Mogulkoc, Y. [Department of Engineering Physics, Ankara University, Ankara (Turkey); Doumi, B.; Tadjer, A. [Modelling and Simulation in Materials Science Laboratory, Physics Department, University of Sidi Bel-Abbes, 22000 Sidi Bel-Abbes (Algeria); Khenata, R. [Laboratoire de Physique Quantique de la Matière et de Modélisation Mathématique (LPQ3M), Université de Mascara, 29000 Mascara (Algeria); Bin Omran, S. [Department of Physics and Astronomy, College of Science, King Saud University, P.O Box 2455, Riyadh 11451 (Saudi Arabia); Rai, D.P. [Department of Physics, Pachhunga University College, Aizawl-796001 (India); Murtaza, G. [Materials Modeling Lab, Department of Physics, Islamia College University, Peshawar (Pakistan); Varshney, Dinesh [Materials Science Laboratory, School of Physics, Vigyan Bhavan, Devi Ahilya University, Khandwa Road Campus, Indore 452001 (India)

    2016-06-01

    Using the first-principles density functional calculations, the structural, electronic and magnetic properties of the Fe{sub 2}XAl (X=Cr, Mn, Ni) compounds in both the Hg{sub 2}CuTi and Cu{sub 2}MnAl-type structures were studied by the full-potential linearized augmented plane waves (FP-LAPW) method. The exchange and correlation potential is treated by the generalized-gradient approximation (GGA) where the results show that the Cu{sub 2}MnAl-type structure is energetically more stable than the Hg{sub 2}CuTi-type structure for the Fe{sub 2}CrAl and Fe{sub 2}MnAl compounds at the equilibrium volume. The full Heusler compounds Fe{sub 2}XAl (X=Cr, Mn) are half-metallic in the Cu{sub 2}MnAl-type structure. Fe{sub 2}NiAl has a metallic character in both CuHg{sub 2}Ti and AlCu{sub 2}Mn-type structures. The total magnetic moments of the Fe{sub 2}CrAl and Fe{sub 2}MnAl compounds are 1.0 and 2.0 μ{sub B}, respectively, which are in agreement with the Slater–Pauling rule M{sub tot}=Z{sub tot}− 24.

  20. Peculiarities of thermoelectric half-Heusler phase formation in Zr–Co–Sb ternary system

    Energy Technology Data Exchange (ETDEWEB)

    Romaka, V.V., E-mail: romakav@lp.edu.ua [Department of Applied Material Science and Materials Engineering, Lviv Polytechnic National University, Ustyyanovycha Str. 5, 79013 Lviv (Ukraine); Institut für Physikalische Chemie, Universität Wien, Währingerstr. 42, A-1090 Wien (Austria); Romaka, L. [Inorganic Chemistry Department, Ivan Franko Lviv National University, Kyryla and Mefodiya Str. 6, 79005 Lviv (Ukraine); Rogl, P. [Institut für Physikalische Chemie, Universität Wien, Währingerstr. 42, A-1090 Wien (Austria); Stadnyk, Yu. [Inorganic Chemistry Department, Ivan Franko Lviv National University, Kyryla and Mefodiya Str. 6, 79005 Lviv (Ukraine); Melnychenko, N. [Inorganic Chemistry Department, Ivan Franko Lviv National University, Kyryla and Mefodiya Str. 6, 79005 Lviv (Ukraine); Army Academy named after Hetman Petro Sahaydachnyi, Gvardijska Str. 32, 79012 Lviv (Ukraine); Korzh, R.; Duriagina, Z. [Department of Applied Material Science and Materials Engineering, Lviv Polytechnic National University, Ustyyanovycha Str. 5, 79013 Lviv (Ukraine); Horyn, A. [Inorganic Chemistry Department, Ivan Franko Lviv National University, Kyryla and Mefodiya Str. 6, 79005 Lviv (Ukraine)

    2014-02-05

    Highlights: • Phase relations for the Zr–Co–Sb system at 500 °C. • Homogeneity region for half-Heusler phase. • The distribution of DOS for Zr{sub 1+x}Co{sub 1−x}Sb predicts transition from semiconductor (x = 0) to metallic (x = 0.13) like behavior. • The existence of the solid solution Zr{sub 5}Co{sub x}Sb{sub 3+y} (x = 0.0–1.0, y = 0.0–1.0). -- Abstract: The phase equilibria in the Zr–Co–Sb ternary system were studied at 873 K by means of X-ray and metallographic analyses in the whole concentration range. The interaction between the elements results the formation of four ternary compounds at investigated temperature: ZrCoSb (MgAgAs-type), Zr{sub 6}CoSb{sub 2} (K{sub 2}UF{sub 6}-type), Zr{sub 5}CoSb{sub 3} (Hf{sub 5}CuSn{sub 3}-type) and Zr{sub 5}Co{sub 0.5}Sb{sub 2.5} (W{sub 5}Si{sub 3}-type). The limited composition Zr{sub 5}CoSb{sub 3} of the solid solution based on the Zr{sub 5}Sb{sub 3−4} binaries is considered as compound with Hf{sub 5}CuSn{sub 3} structure type. The influence of the disordering and defects in the crystal structure of ZrCoSb on the physical properties was analyzed. The performed electronic structure calculations are in good agreement with electrical and magnetic studies.

  1. Magnetic microstructure of candidates for epitaxial dual Heusler magnetic tunnel junctions

    International Nuclear Information System (INIS)

    Kaiser, A.; Banerjee, D.; Rata, A.D.; Wiemann, C.; Cramm, S.; Schneider, C.M.

    2009-01-01

    Heusler alloys are considered as interesting ferromagnetic electrode materials for magnetic tunnel junctions, because of their high spin polarization. We, therefore, investigated the micromagnetic properties in a prototypical thin film system comprising two different Heusler phases Co 2 MnSi (CMS) and Co 2 FeSi (CFS) separated by a MgO barrier. The magnetic microstructure was investigated by X-ray photoemission electron microscopy (XPEEM). We find a strong influence of the Heusler phase formation process on the magnetic domain patterns. SiO 2 /V/CMS/MgO/CFS and SiO 2 /V/CFS/MgO/CMS trilayer structures exhibit a strikingly different magnetic behavior, which is due to pinhole coupling through the MgO barrier and a strong thickness dependence of the magnetic ordering in Co 2 MnSi

  2. Lattice dynamics of Ru2FeX (X = Si, Ge) Full Heusler alloys

    Science.gov (United States)

    Rizwan, M.; Afaq, A.; Aneeza, A.

    2018-05-01

    In present work, the lattice dynamics of Ru2FeX (X = Si, Ge) full Heusler alloys are investigated using density functional theory (DFT) within generalized gradient approximation (GGA) in a plane wave basis, with norm-conserving pseudopotentials. Phonon dispersion curves and phonon density of states are obtained using first-principles linear response approach of density functional perturbation theory (DFPT) as implemented in Quantum ESPRESSO code. Phonon dispersion curves indicates for both Heusler alloys that there is no imaginary phonon in whole Brillouin zone, confirming dynamical stability of these alloys in L21 type structure. There is a considerable overlapping between acoustic and optical phonon modes predicting no phonon band gap exists in dispersion curves of alloys. The same result is shown by phonon density of states curves for both Heusler alloys. Reststrahlen band for Ru2FeSi is found smaller than Ru2FeGe.

  3. Magnetic interactions in martensitic Ni-Mn based Heusler systems

    Energy Technology Data Exchange (ETDEWEB)

    Aksoy, Seda

    2010-04-22

    In this work, magnetic, magnetocaloric and structural properties are investigated in Ni-Mn-based martensitic Heusler alloys with the aim to tailor these properties as well as to understand in detail the magnetic interactions in the various crystallographic states of these alloys. We choose Ni{sub 50}Mn{sub 34}In{sub 16} as a prototype which undergoes a martensitic transformation and exhibits field-induced strain and the inverse magnetocaloric effect. Using the structural phase diagram of martensitic Ni-Mn-based Heusler alloys, we substitute gallium and tin for indium to carry these effects systematically closer to room temperature by shifting the martensitic transformation. A magneto-calorimeter is designed and built to measure adiabatically the magnetocaloric effect in these alloys. The temperature dependence of strain under an external magnetic field is studied in Ni{sub 50}Mn{sub 50-x}Z{sub x} (Z: Ga, Sn, In and Sb) and Ni{sub 50}Mn{sub 34}In{sub 16-x}Z{sub x} (Z: Ga and Sn). An argument based on the effect of the applied magnetic field on martensite nucleation is adopted to extract information on the direction of the magnetization easy axis in the martensitic unit cell in Heusler alloys. Parallel to these studies, the structure in the presence of an external field is also studied by powder neutron diffraction. It is demonstrated that martensite nucleation is influenced by cooling the sample under a magnetic field such that the austenite phase is arrested within the martensitic state. The magnetic interactions in Ni{sub 50}Mn{sub 37}Sn{sub 13} and Ni{sub 50}Mn{sub 40}Sb{sub 10} are characterized by using neutron polarization analysis. Below the martensitic transformation temperature, M{sub s}, an antiferromagnetically correlated state is found. Ferromagnetic resonance experiments are carried out on Ni{sub 50}Mn{sub 37}Sn{sub 13} and Ni{sub 50}Mn{sub 34}In{sub 16} to gain more detailed information on the nature of the magnetic interactions. The experimental

  4. Optimization of smart Heusler alloys from first principles

    Energy Technology Data Exchange (ETDEWEB)

    Entel, Peter, E-mail: entel@thp.uni-duisburg.de [Faculty of Physics and Center for Nanointegration, CeNIDE, University of Duisburg-Essen, 47048 Duisburg (Germany); Siewert, Mario; Gruner, Markus E. [Faculty of Physics and Center for Nanointegration, CeNIDE, University of Duisburg-Essen, 47048 Duisburg (Germany); Chakrabarti, Aparna [Faculty of Physics and Center for Nanointegration, CeNIDE, University of Duisburg-Essen, 47048 Duisburg (Germany); Raja Ramanna Centre for Advanced Technology, Indore 452013, Madhya Pradesh (India); Barman, Sudipta R. [UGC-DAE Consortium for Scientific Research, Khandwa Road, Indore 452001, Madhya Pradesh (India); Sokolovskiy, Vladimir V.; Buchelnikov, Vasiliy D. [Condensed Matter Physics Department, Chelyabinsk State University, 454001, Chelyabinsk (Russian Federation)

    2013-11-15

    Highlights: ► We investigate the tensile deformation of single crystalline Ni–Mn–Ga stripes by DIC. ► Mechanical constraints (fixation, bending) determine the type of twin boundary formed during training in a magnetic field. ► Orientation of strain bands (45° or 84° inclination) depends on the type of twin boundary. ► The twinning stress is lower for twin boundaries inclined by 84° compared to the case of 45°. -- Abstract: The strong magnetoelastic interaction in ternary X{sub 2}YZ Heusler alloys is reponsible for the appearance of magnetostructural phase transitions and related functional properties such as the magnetocaloric and magnetic shape-memory effects. Here, X and Y are transition metal elements and Z is usually an element from the III–V group. In order to discuss possibilities to optimize the multifunctional effects, we use density functional theory calculations from which the martensitic driving forces of the magnetic materials can be derived. We find that the electronic contribution arising from the band Jahn–Teller effect is one of the major driving forces. The ab initio calculations also give a hint of how to design new intermetallics with higher martensitic transformation temperatures compared to the prototype alloy system Ni–Mn–Ga. As an example, we discuss quarternary Pt{sub x}Ni{sub 2−x}MnGa alloys which have properties very similar to Ni–Mn–Ga but exhibit a higher maximal eigenstrain of 14%.

  5. Systematic study of hyperfine fields in Rh2 Y Z type Heusler alloys with 119 Sn impurity using Moessbauer spectroscopy

    International Nuclear Information System (INIS)

    Ramos, S.M.M.

    1985-01-01

    The magnetic hyperfine fields in the Heusler alloys Rh 2 Mn .98 Ge Sn 02 , Rh 2 Mn Ge .98 Sn .02 , Rh 2 Mn Pb .98 Sn .02 and Rh 2 Mn Sn has been studied by 119 Sn Moessbauer spectroscopy at 293 K, 77 K, 4.2 K and 293 K with applied external magnetic field. The results show that when one compare the magnetic hyperfine fields systematic with the Heusler alloys X 2 Mn Z (X = Co, Ni, Cu, Pd, and Z = s p metal), this systematic is similar to the Co alloys, although can not explained by the currents models for the Heusler alloys. (author)

  6. Investigation of spin-gapless semiconductivity and half-metallicity in Ti2MnAl-based compounds

    International Nuclear Information System (INIS)

    Lukashev, P.; Staten, B.; Hurley, N.; Kharel, P.; Gilbert, S.; Fuglsby, R.; Huh, Y.; Valloppilly, S.; Zhang, W.; Skomski, R.; Sellmyer, D. J.; Yang, K.

    2016-01-01

    The increasing interest in spin-based electronics has led to a vigorous search for new materials that can provide a high degree of spin polarization in electron transport. An ideal candidate would act as an insulator for one spin channel and a conductor or semiconductor for the opposite spin channel, corresponding to the respective cases of half-metallicity and spin-gapless semiconductivity. Our first-principle electronic-structure calculations indicate that the metallic Heusler compound Ti 2 MnAl becomes half-metallic and spin-gapless semiconducting if half of the Al atoms are replaced by Sn and In, respectively. These electronic structures are associated with structural transitions from the regular cubic Heusler structure to the inverted cubic Heusler structure.

  7. Thermoelectric Properties of the XCoSb (X: Ti,Zr,Hf) Half-Heusler Alloys

    KAUST Repository

    Gandi, Appala; Schwingenschlö gl, Udo

    2017-01-01

    We investigate the thermoelectric properties of the half-Heusler alloys XCoSb (X: Ti,Zr,Hf) by solving Boltzmann transport equations and discuss them in terms of the electronic band structure. The rigid band approximation is employed to address

  8. Pressure dependence of Curie temperature and resisitvity in complex Heusler alloys

    Czech Academy of Sciences Publication Activity Database

    Bose, S. K.; Kudrnovský, Josef; Drchal, Václav; Turek, I.

    2011-01-01

    Roč. 84, č. 17 (2011), 174422/1-174422/8 ISSN 1098-0121 R&D Projects: GA ČR GA202/09/0775 Institutional research plan: CEZ:AV0Z10100520 Keywords : Curie temperature * resistivity * Heusler alloys * hydrostatic pressure * first-principles Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.691, year: 2011

  9. Fabrication and Magnetic Properties of Co₂MnAl Heusler Alloys by Mechanical Alloying.

    Science.gov (United States)

    Lee, Chung-Hyo

    2018-02-01

    We have applied mechanical alloying (MA) to produce nanocrystalline Co2MnAl Heusler alloys using a mixture of elemental Co50Mn25Al25 powders. An optimal milling and heat treatment conditions to obtain a Co2MnAl Heusler phase with fine microstructure were investigated by X-ray diffraction, differential scanning calorimeter and vibrating sample magnetometer measurements. α-(Co, Mn, Al) FCC phases coupled with amorphous phase are obtained after 3 hours of MA without any evidence for the formation of Co2MnAl alloys. On the other hand, a Co2MnAl Heusler alloys can be obtained by the heat treatment of all MA samples up to 650 °C. X-ray diffraction result shows that the average grain size of Co2MnAl Heusler alloys prepared by MA for 5 h and heat treatment is in the range of 95 nm. The saturation magnetization of MA powders decreases with MA time due to the magnetic dilution by alloying with nonmagnetic Mn and Al elements. The magnetic hardening due to the reduction of the grain size with ball milling is also observed. However, the saturation magnetization of MA powders after heat treatment increases with MA time and reaches to a maximum value of 105 emu/g after 5 h of MA. It can be also seen that the coercivity of 5 h MA sample annealed at 650 °C is fairly low value of 25 Oe.

  10. DFT investigations on mechanical stability, electronic structure and magnetism in Co2TaZ (Z = Al, Ga, In) heusler alloys

    Science.gov (United States)

    Khandy, Shakeel Ahmad; Gupta, Dinesh C.

    2017-12-01

    Ferromagnetic Heusler compounds have vast and imminent applications for novel devices, smart materials thanks to density functional theory (DFT) based simulations, which have scored out a new approach to study these materials. We forecast the structural stability of Co2TaZ alloys on the basis of total energy calculations and mechanical stability criteria. The elastic constants, robust spin-polarized ferromagnetism and electron densities in these half-metallic alloys are also discussed. The observed structural aspects calculated to predict the stability and equilibrium lattice parameters agree well with the experimental results. The elastic parameters like elastic constants, bulk, Young’s and shear moduli, poison’s and Pugh ratios, melting temperatures, etc have been put together to establish their mechanical properties. The elaborated electronic band structures along with indirect band gaps and spin polarization favour the application of these materials in spintronics and memory device technology.

  11. Neutron irradiation effects on magnetic properties of some Heusler alloys

    International Nuclear Information System (INIS)

    Onodera, Hideya; Shinohara, Takeshi; Yamamoto, Hisao; Watanabe, Hiroshi

    1975-01-01

    The neutron irradiation effects were studied with measurements of temperature dependence of magnetization in ordered and disordered Heusler alloys. The irradiation was carried out in JMTR with a total flux of fast neutrons of 10 20 nvt. Fully ordered Cu 2 MnIn, partially ordered Cu 2 MnAl and completely disordered Cu 2 MnSn were prepared with various temperature treatments. The magnetization-temperature curves of each specimen were measured before and after irradiation. In the irradiated Cu 2 MnIn, the disordering by the irradiation gave rise to a decrease of magnetization, and the temperature dependence of magnetization showed that the disordered region contained various regions with different degrees of disorder. For the distribution of the disordered region, the calculation based on the theory of temperature spike by Seitz and Koekler gave a feasible result that a disordered region comprised a central core with a radius of 5.4 A which was completely disordered and a periphery of 3.3 A thickness which was partially disordered. From the magnetization-temperature curves of Cu 2 MnAl, it was considered that the disordered regions induced by the irradiation had different properties from those induced by the heat treatment. The former were the localized and comprised regions corresponding to various degrees of disorder, while the latter spread spatially in a wide range with a certain degree of disorder. The ordering by enhanced diffusion occurred simultaneously to an extent comparable to the disordering, and so it played an important role in the magnetization in the partially disordered Cu 2 MnAl. In the disordered Cu 2 MnSn, however, the ordering effect was very small. It is supposed to be difficult for the A2 structure to transform into the L2 1 structure by the enhanced diffusion. (auth.)

  12. Low Temperature Electrical Spin Injection from Highly Spin Polarized Co₂CrAl Heusler Alloy into p-Si.

    Science.gov (United States)

    Kar, Uddipta; Panda, J; Nath, T K

    2018-06-01

    The low temperature spin accumulation in p-Si using Co2CrAl/SiO2 tunnel junction has been investigated in detail. The heterojunction has been fabricated using electron beam evaporation (EBE) technique. The 3-terminal contacts in Hanle geometry has been made for spin transport measurements. The electrical transport properties have been investigated at different isothermal conditions in the temperature range of 10-300 K. The current-voltage characteristics of the junction shows excellent rectifying magnetic diode like behaviour in lower temperature range (below 200 K). At higher temperature, the junction shows nonlinear behaviour without rectifying characteristics. We have observed spin accumulation signal in p-Si semiconductor using SiO2/Co2CrAl tunnel junction in the low temperature regime (30-100 K). Hence the highly spin polarized Full Heusler alloys compounds, like Co2CrAl etc., are very attractive and can act as efficient tunnel device for spin injection in the area of spintronics devices in near future. The estimated spin life time is τ = 54 pS and spin diffusion length inside p-Si is LSD = 289 nm at 30 K for this heterostructure.

  13. Phase transitions, magnetotransport and magnetocaloric effects in a new family of quaternary Ni-Mn-In-Z Heusler alloys.

    Science.gov (United States)

    Kazakov, Alexander; Prudnikov, Valerii; Granovsky, Alexander; Perov, Nikolai; Dubenko, Igor; Pathak, Arjun Kumar; Samanta, Tapas; Stadler, Shane; Ali, Naushad; Zhukov, Arcady; Ilyin, Maxim; Gonzalez, Julian

    2012-09-01

    The magnetic, magnetotransport, and magnetocaloric properties near compound phase transitions in Ni50Mn35In14Z (Z = In, Ge, Al), and Ni48Co2Mn35In15 Heusler alloys have been studied using VSM and SQUID magnetometers (at magnetic fields (H) up to 5 T), four-probe method (at H = 0.005-1.5 T), and an adiabatic magnetocalorimeter (for H changes up to deltaH = 1.8 T), respectively. The martensitic transformation (MT) is accompanied by large magnetoresistance (up to 70%), a significant change in resistivity (up to 200%), and a sign reversal of the ordinary Hall effect coefficient, all related to a strong change in the electronic spectrum at the MT. The field dependences of the Hall resistance are complex in the vicinity of the MT, indicating a change in the relative concentrations of the austenite and martensite phases at strong fields. Negative and positive changes in adiabatic temperatures of about -2 K and +2 K have been observed in the vicinity of MT and Curie temperatures, respectively, for deltaH = 1.8 T.

  14. Studying the hopping parameters of half-Heusler NaAuS using maximally localized Wannier function

    Science.gov (United States)

    Sihi, Antik; Lal, Sohan; Pandey, Sudhir K.

    2018-04-01

    Here, the electronic behavior of half-Heusler NaAuS is studied using PBEsol exchange correlation functional by plotting the band structure curve. These bands are reproduced using maximally localized Wannier function using WANNIER90. Tight-binding bands are nicely matched with density functional theory bands. By fitting the tight-binding model, hopping parameter for NaAuS is obtained by including Na 2s, 2p, Au 6s, 5p, 5d and S 3s, 3p orbitals within the energy interval of -5 to 16 eV around the Fermi level. In present study, hopping integrals for NaAuS are computed for the first primitive unit cell atoms as well as the first nearest neighbor primitive unit cell. The most dominating hopping integrals are found for Na (3s) - S (3s), Na (2px) - S (2px), Au (6s) - S (3px), Au (6s) - S (3py) and Au (6s) - S (3pz) orbitals. The hopping integrals for the first nearest neighbor primitive unit cell are also discussed in this manuscript. In future, these hopping integrals are very important to find the topological invariant for NaAuS compound.

  15. Spin injection and magnetoresistance in MoS2-based tunnel junctions using Fe3Si Heusler alloy electrodes.

    Science.gov (United States)

    Rotjanapittayakul, Worasak; Pijitrojana, Wanchai; Archer, Thomas; Sanvito, Stefano; Prasongkit, Jariyanee

    2018-03-19

    Recently magnetic tunnel junctions using two-dimensional MoS 2 as nonmagnetic spacer have been fabricated, although their magnetoresistance has been reported to be quite low. This may be attributed to the use of permalloy electrodes, injecting current with a relatively small spin polarization. Here we evaluate the performance of MoS 2 -based tunnel junctions using Fe 3 Si Heusler alloy electrodes. Density functional theory and the non-equilibrium Green's function method are used to investigate the spin injection efficiency (SIE) and the magnetoresistance (MR) ratio as a function of the MoS 2 thickness. We find a maximum MR of ~300% with a SIE of about 80% for spacers comprising between 3 and 5 MoS 2 monolayers. Most importantly, both the SIE and the MR remain robust at finite bias, namely MR > 100% and SIE > 50% at 0.7 V. Our proposed materials stack thus demonstrates the possibility of developing a new generation of performing magnetic tunnel junctions with layered two-dimensional compounds as spacers.

  16. Magnetism and electronic structure of CoFeCrX (X = Si, Ge) Heusler alloys

    International Nuclear Information System (INIS)

    Jin, Y.; O'Connell, A.; Kharel, P.; Lukashev, P.; Staten, B.; Tutic, I.; Valloppilly, S.; Herran, J.; Mitrakumar, M.; Bhusal, B.; Huh, Y.; Yang, K.; Skomski, R.; Sellmyer, D. J.

    2016-01-01

    The structural, electronic, and magnetic properties of CoFeCrX (X = Si, Ge) Heusler alloys have been investigated. Experimentally, the alloys were synthesized in the cubic L2 1 structure with small disorder. The cubic phase of CoFeCrSi was found to be highly stable against heat treatment, but CoFeCrGe disintegrated into other new compounds when the temperature reached 402 °C (675 K). Although the first-principle calculation predicted the possibility of tetragonal phase in CoFeCrGe, the tetragonal phase could not be stabilized experimentally. Both CoFeCrSi and CoFeCrGe compounds showed ferrimagnetic spin order at room temperature and have Curie temperatures (T C ) significantly above room temperature. The measured T C for CoFeCrSi is 790 K but that of CoFeCrGe could not be measured due to its dissociation into new compounds at 675 K. The saturation magnetizations of CoFeCrSi and CoFeCrGe are 2.82 μ B /f.u. and 2.78 μ B /f.u., respectively, which are close to the theoretically predicted value of 3 μ B /f.u. for their half-metallic phases. The calculated band gaps for CoFeCrSi and CoFeCrGe are, respectively, 1 eV and 0.5 eV. These materials have potential for spintronic device applications, as they exhibit half-metallic electronic structures with large band gaps, and Curie temperatures significantly above room temperature.

  17. Thermal and electronic charge transport in bulk nanostructured Zr0.25Hf0.75NiSn composites with full-Heusler inclusions

    International Nuclear Information System (INIS)

    Makongo, Julien P.A.; Misra, Dinesh K.; Salvador, James R.; Takas, Nathan J.; Wang, Guoyu; Shabetai, Michael R.; Pant, Aditya; Paudel, Pravin; Uher, Ctirad; Stokes, Kevin L.; Poudeu, Pierre F.P.

    2011-01-01

    Bulk Zr 0.25 Hf 075 NiSn half-Heusler (HH) nanocomposites containing various mole fractions of full-Heusler (FH) inclusions were prepared by solid state reaction of pre-synthesized HH alloy with elemental Ni at 1073 K. The microstructures of spark plasma sintered specimens of the HH/FH nanocomposites were investigated using transmission electron microscopy and their thermoelectric properties were measured from 300 K to 775 K. The formation of coherent FH inclusions into the HH matrix arises from solid-state Ni diffusion into vacant sites of the HH structure. HH(1-y)/FH(y) composites with mole fraction of FH inclusions below the percolation threshold, y∼0.2, show increased electrical conductivity, reduced Seebeck coefficient and increased total thermal conductivity arising from gradual increase in the carrier concentration for composites. A drastic reduction (∼55%) in κ l was observed for the composite with y=0.6 and is attributed to enhanced phonon scattering due to mass fluctuations between FH and HH, and high density of HH/FH interfaces. - Graphical abstract: Large reduction in the lattice thermal conductivity of bulk nanostructured half-Heusler/full-Heusler (Zr 0.25 Hf 075 NiSn/ Zr 0.25 Hf 075 Ni 2 Sn) composites, obtained by solid-state diffusion at 1073 K of elemental Ni into vacant sites of the half-Heusler structure, arising from the formation of regions of spinodally decomposed HH and FH phases with a spatial composition modulation of ∼2 nm. Highlights: → Bulk composites from solid state transformation of half-Heusler matrix through Ni diffusion. → Formation of coherent phase boundaries between half-Heusler matrix and full-Heusler inclusion. → Alteration of thermal and electronic transports with increasing full-Heusler inclusion. → Enhanced phonon scattering at half-Heusler/ full-Heusler phase boundaries.

  18. Fabrication and thermoelectric properties of fine-grained TiNiSn compounds

    International Nuclear Information System (INIS)

    Zou Minmin; Li Jingfeng; Du Bing; Liu Dawei; Kita, Takuji

    2009-01-01

    Nearly single-phased TiNiSn half-Heusler compound thermoelectric materials were synthesized by combining mechanical alloying (MA) and spark plasma sintering (SPS) in order to reduce its thermal conductivity by refining the grain sizes. Although TiNiSn compound powders were not synthesized directly via MA, dense bulk samples of TiNiSn compound were obtained by the subsequent SPS treatment. It was found that an excessive Ti addition relative to the TiNiSn stoichiometry is effective in increasing the phase purity of TiNiSn half-Heusler phase in the bulk samples, by compensating for the Ti loss caused by the oxidation of Ti powders and MA processing. The maximum power factor value obtained in the Ti-compensated sample is 1720 μW m -1 K -2 at 685 K. A relatively high ZT value of 0.32 is achieved at 785 K for the present undoped TiNiSn compound polycrystals. - Graphical abstract: Nearly single-phased TiNiSn-based half-Heusler compound polycrystalline materials with fine grains were fabricated by combining mechanical alloying (MA) and spark plasma sintering (SPS). A high ZT value for undoped TiNiSn was obtained because of the reduced thermal conductivity.

  19. Improvement of thermoelectric properties for half-Heusler TiNiSn by interstitial Ni defects

    International Nuclear Information System (INIS)

    Hazama, Hirofumi; Matsubara, Masato; Asahi, Ryoji; Takeuchi, Tsunehiro

    2011-01-01

    We have synthesized off-stoichiometric Ti-Ni-Sn half-Heusler thermoelectrics in order to investigate the relation between randomly distributed defects and thermoelectric properties. A small change in the composition of Ti-Ni-Sn causes a remarkable change in the thermal conductivity. An excess content of Ni realizes a low thermal conductivity of 2.93 W/mK at room temperature while keeping a high power factor. The low thermal conductivity originates in the defects generated by an excess content of Ni. To investigate the detailed defect structure, we have performed first-principles calculations and compared with x ray photoemission spectroscopy measurement. Based on these analyses, we conclude that the excess Ni atoms randomly occupy the vacant sites in the half-Heusler structure, which play as phonon scattering centers, resulting in significant improvement of the figure of merit without any substitutions of expensive heavy elements, such as Zr and Hf.

  20. Spin disordered resistivity of the Heusler Ni.sub.2./sub.MnGa-based alloys

    Czech Academy of Sciences Publication Activity Database

    Kamarád, Jiří; Kaštil, Jiří; Albertini, F.; Fabbrici, S.; Arnold, Zdeněk

    2017-01-01

    Roč. 131, č. 4 (2017), s. 1072-1074 ISSN 0587-4246 R&D Projects: GA ČR GAP204/12/0692 Institutional support: RVO:68378271 Keywords : spin disordered resistivity * magnetoresistance * Heusler alloys * Ni 2 MnGa Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 0.469, year: 2016

  1. Preparation and properties of radio-frequency-sputtered half-Heusler films for use in solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Kieven, D., E-mail: david.kieven@helmholtz-berlin.d [Helmholtz-Zentrum fuer Materialien und Energie, Hahn-Meitner-Platz 1, 14109 Berlin (Germany); Grimm, A. [Helmholtz-Zentrum fuer Materialien und Energie, Hahn-Meitner-Platz 1, 14109 Berlin (Germany); Beleanu, A.; Blum, C.G.F. [Johannes Gutenberg Universitaet, Institut fuer Anorganische Chemie und Analytische Chemie, Staudingerweg 9, 55128 Mainz (Germany); Schmidt, J. [Fraunhofer Institut Fertigungstechnik Materialforschung IFAM, Winterbergstrasse 28, 01277 Dresden (Germany); Rissom, T.; Lauermann, I. [Helmholtz-Zentrum fuer Materialien und Energie, Hahn-Meitner-Platz 1, 14109 Berlin (Germany); Gruhn, T.; Felser, C. [Johannes Gutenberg Universitaet, Institut fuer Anorganische Chemie und Analytische Chemie, Staudingerweg 9, 55128 Mainz (Germany); Klenk, R. [Helmholtz-Zentrum fuer Materialien und Energie, Hahn-Meitner-Platz 1, 14109 Berlin (Germany)

    2011-01-03

    The class of half-Heusler compounds opens possibilities to find alternatives for II-VI or III-V compound semiconductors. We aim to find suitable substitutes for the cadmium sulphide buffer layer in chalcopyrite-based thin film solar cells, where the buffer layer is located between the p-type chalcopyrite absorber and an n-type transparent window layer. We report here the preparation of radio-frequency-sputtered lithium copper sulphide 'LiCuS' and lithium zinc phosphide 'LiZnP' films. The optical analysis of these films revealed band gaps between 1.8 and 2.5 eV, respectively. Chemical properties of the film surface and both interfaces between the film and a Cu(In,Ga)Se{sub 2} layer and between the film and an (Zn,Mg)O layer were investigated by in-situ photoelectron spectroscopy. The valence band offsets to the Cu(In,Ga)Se{sub 2} layer were estimated to be (0.4 {+-} 0.1) eV for 'LiCuS'/Cu(In,Ga)Se{sub 2} and (0.5 {+-} 0.8) eV for 'LiZnP'/Cu(In,Ga)Se{sub 2}. This leads to positive conduction band offsets of > 1 eV. These rather large offsets are not compatible with efficient solar cell devices. Under atmospheric conditions 'LiCuS' and 'LiZnP' films show rapid decomposition.

  2. Martensitic transformation in Heusler alloys Mn2YIn (Y=Ni, Pd and Pt): Theoretical and experimental investigation

    International Nuclear Information System (INIS)

    Luo, Hongzhi; Liu, Bohua; Xin, Yuepeng; Jia, Pengzhong; Meng, Fanbin; Liu, Enke; Wang, Wenhong; Wu, Guangheng

    2015-01-01

    The martensitic transformation and electronic structure of Heusler alloys Mn 2 YIn (Y=Ni, Pd, Pt) have been investigated by both first-principles calculation and experimental investigation. Theoretical calculation reveals that, the energy difference ΔE between the tetragonal martensitic phase and cubic austenitic phase increases with Y varying from Ni to Pt in Mn 2 YIn. Thus a structural transition from cubic to tetragonal is most likely to happen in Heusler alloy Mn 2 PtIn. A single Heusler phase can be obtained in both Mn 2 PtIn and Mn 2 PdIn. A martensitic transformation temperature of 615 K has been identified in Mn 2 PtIn. And in Mn 2 PdIn, the austenitic phase is stable and no martensitic transformation is observed till 5 K. This indicates there may exist a positive relation between ΔE and martensitic transformation temperature. Calculated results show that Mn 2 YIn are all ferrimagnets in both austenitic and martensitic phases. The magnetic properties are mainly determined by the antiparallel aligned Mn spin moments. These findings can help to develop new FSMAs with novel properties. - Highlights: • Positive relation between ΔE and martensitic transformation temperature has been observed. • Heusler alloy Mn 2 PdIn has been synthesized successfully and investigated. • Martensitic transformation in Heusler alloys can be predicted by first -principles calculations

  3. Hard X-ray photoelectron spectroscopy of bulk and thin films of Heusler compounds

    Energy Technology Data Exchange (ETDEWEB)

    Kozina, Xeniya

    2012-03-26

    X-ray photoemission spectroscopy (XPS) is one of the most universal and powerful tools for investigation of chemical states and electronic structures of materials. The application of hard X-rays increases the inelastic mean free path of the emitted electrons within the solid and thus makes hard X-ray photoelectron spectroscopy (HAXPES) a bulk sensitive probe for solid state research and especially a very effective nondestructive technique to study buried layers. This thesis focuses on the investigation of multilayer structures, used in magnetic tunnel junctions (MTJs), by a number of techniques applying HAXPES. MTJs are the most important components of novel nanoscale devices employed in spintronics. The investigation and deep understanding of the mechanisms responsible for the high performance of such devices and properties of employed magnetic materials that are, in turn, defined by their electronic structure becomes feasible applying HAXPES. Thus the process of B diffusion in CoFeB-based MTJs was investigated with respect to the annealing temperature and its influence on the changes in the electronic structure of CoFeB electrodes that clarify the behaviour and huge TMR ratio values obtained in such devices. These results are presented in chapter 6. The results of investigation of the changes in the valence states of buried off-stoichiometric Co{sub 2}MnSi electrodes were investigated with respect to the Mn content {alpha} and its influence on the observed TMR ratio are described in chapter 7. Magnetoelectronic properties such as exchange splitting in ferromagnetic materials as well as the macroscopic magnetic ordering can be studied by magnetic circular dichroism in photoemission (MCDAD). It is characterized by the appearance of an asymmetry in the photoemission spectra taken either from the magnetized sample with the reversal of the photon helicity or by reversal of magnetization direction of the sample when the photon helicity direction is fixed. Though recently it has been widely applied for the characterization of surfaces using low energy photons, the bulk properties have stayed inaccessible. Therefore in this work this method was integrated to HAXPES to provide an access to exploration of magnetic phenomena in the buried layers of the complex multilayer structures. Chapter 8 contains the results of the MCDAD measurements employing hard x-rays for exploration of magnetic properties of the common CoFe-based band-ferromagnets as well as half-metallic ferromagnet Co{sub 2}FeAl-based MTJs. In as much as the magnetoresistive characteristics in spintronic devices are fully defined by the electron spins of ferromagnetic materials their direct measurements always attracted much attention but up to date have been limited by the surface sensitivity of the developed techniques. Chapter 9 presents the results on the successfully performed spin-resolved HAXPES experiment using a spin polarimeter of the SPLEED-type on a buried Co{sub 2}FeAl{sub 0.5}Si{sub 0.5} magnetic layer. The measurements prove that a spin polarization of about 50 % is retained during the transmission of the photoelectrons emitted from the Fe 2p{sub 3/2} state through a 3-nm-thick oxide capping layer.

  4. Structural characterization of half-metallic Heusler compound NiMnSb

    Energy Technology Data Exchange (ETDEWEB)

    Nowicki, L. E-mail: lech.nowicki@fuw.edu.pl; Abdul-Kader, A.M.; Bach, P.; Schmidt, G.; Molenkamp, L.W.; Turos, A.; Karczewski, G

    2004-06-01

    High resolution X-ray diffraction (HRXRD) and Rutherford backscattering/channeling (RBS/c) techniques were used to characterize layers of NiMnSb grown by molecular beam epitaxy (MBE) on InP with a In{sub x}Ga{sub 1-x}As buffer. Angular scans in the channeling mode reveal that the crystal structure of NiMnSb is tetragonally deformed with c/a=1.010{+-}0.002, in agreement with HRXRD data. Although HRXRD demonstrates the good quality of the pseudomorphic NiMnSb layers the channeling studies show that about 20% of atoms in the layers do not occupy lattice sites in the [0 0 1] rows of NiMnSb. The possible mechanisms responsible for the observed disorder are discussed.

  5. Phenomenological analysis of thermal hysteresis in Ni-Mn-Ga Heusler alloys

    Science.gov (United States)

    Zagrebin, M. A.; Sokolovskiy, V. V.; Buchelnikov, V. D.

    2018-05-01

    The manipulation of thermal hysteresis in Ni-Mn-Ga Heusler alloys with coupled magnetostructural phase transition is studied theoretically using the Landau theory, including magnetic, elastic and crystal lattice modulation order parameters as well as an external magnetic field. It is shown that for the assigned combination of phenomenological parameters, in the phase diagrams, the Austenite-Martensite first-order phase transition has a finite (critical) point in which the thermal hysteresis is disappeared. Moreover, this point depends on the relation between modulation and elastic constants as well as on the magnetic field. Obtained results have been compared with other theoretical end experimental data.

  6. Electron dominated thermoelectric response in MNiSn (M: Ti, Zr, Hf) half-Heusler alloys

    KAUST Repository

    Gandi, Appala

    2016-05-09

    We solve the transport equations of the electrons and phonons to understand the thermoelectric behaviour of the technologically important half-Heusler alloys MNiSn (M: Ti, Zr, Hf). Doping is simulated within the rigid band approximation. We clarify the origin of the electron dominated thermoelectric response and determine the carrier concentrations with maximal figures of merit. The phonon mean free path is studied to calculate the grain size below which grain refinement methods can enforce ballistic heat conduction to enhance the figure of merit. © The Owner Societies 2016.

  7. Electron dominated thermoelectric response in MNiSn (M: Ti, Zr, Hf) half-Heusler alloys

    KAUST Repository

    Gandi, Appala; Schwingenschlö gl, Udo

    2016-01-01

    We solve the transport equations of the electrons and phonons to understand the thermoelectric behaviour of the technologically important half-Heusler alloys MNiSn (M: Ti, Zr, Hf). Doping is simulated within the rigid band approximation. We clarify the origin of the electron dominated thermoelectric response and determine the carrier concentrations with maximal figures of merit. The phonon mean free path is studied to calculate the grain size below which grain refinement methods can enforce ballistic heat conduction to enhance the figure of merit. © The Owner Societies 2016.

  8. High Thermoelectric Figure of Merit by Resonant Dopant in Half-Heusler Alloys

    OpenAIRE

    Chen, Long; Liu, Yamei; He, Jian; Tritt, Terry M.; Poon, S. Joseph

    2017-01-01

    Half-Heusler alloys have been one of the benchmark high temperature thermoelectric materials owing to their thermal stability and promising figure of merit ZT. Simonson et al. early showed that small amounts of vanadium doped in Hf0.75Zr0.25NiSn enhanced the Seebeck coefficient and correlated the change with the increased density of states near the Fermi level. We herein report a systematic study on the role of vanadium (V), niobium (Nb), and tantalum (Ta) as prospective resonant dopants in e...

  9. Disorder dependent half-metallicity in Mn2CoSi inverse Heusler alloy

    International Nuclear Information System (INIS)

    Singh, Mukhtiyar; Saini, Hardev S.; Thakur, Jyoti; Reshak, Ali H.; Kashyap, Manish K.

    2013-01-01

    Heusler alloys based thin-films often exhibit a degree of atomic disorder which leads to the lowering of spin polarization in spintronic devices. We present ab-initio calculations of atomic disorder effects on spin polarization and half-metallicity of Mn 2 CoSi inverse Heusler alloy. The five types of disorder in Mn 2 CoSi have been proposed and investigated in detail. The A2 a -type and B2-type disorders destroy the half-metallicity whereas it sustains for all disorders concentrations in DO 3a - and A2 b -type disorder and for smallest disorder concentration studied in DO 3b -type disorder. Lower formation energy/atom for A2 b -type disorder than other four disorders in Mn 2 CoSi advocates the stability of this disorder. The total magnetic moment shows a strong dependence on the disorder and the change in chemical environment. The 100% spin polarization even in the presence of disorders explicitly supports that these disorders shall not hinder the use of Mn 2 CoSi inverse Heusler alloy in device applications. - Graphical abstract: Minority-spin gap (E g↓ ) and HM gap (E sf ) as a function of concentrations of various possible disorder in Mn 2 CoSi inverse Heusler alloy. The squares with solid line (black color)/dotted line (blue color)/dashed line (red color) reperesents E g↓ for DO 3a -/DO 3b -/A2 b -type disorder in Mn 2 CoSi and the spheres with solid line (black color)/dottedline (blue color)/dashed line (red color) represents E sf for DO 3a -/DO 3b -/A2 b -type disorder in Mn 2 CoSi. - Highlights: • The DO 3 - and A2-type disorders do not affect the half-metallicity in Mn 2 CoSi. • The B2-type disorder solely destroys half-metallicity in Mn 2 CoSi. • The A2-type disorder most probable to occur out of all three types. • The total spin magnetic moment strongly depends on the disorder concentrations

  10. Electronic, magnetic and thermal properties of Co{sub 2}Cr{sub x}Fe{sub 1−x}X (X=Al, Si) Heusler alloys: First-principles calculations

    Energy Technology Data Exchange (ETDEWEB)

    Guezlane, M. [Department of Physics, Faculty of Science, University of Batna, 05000 Batna (Algeria); Baaziz, H., E-mail: baaziz_hakim@yahoo.fr [Physics Department, Faculty of Science, University of M' sila, 28000 M' sila (Algeria); El Haj Hassan, F., E-mail: hassan.f@ul.edu.lb [Université Libanaise, Faculté des Sciences (I), Laboratoire de Physique et d’Electronique (LPE), Elhadath, Beirut (Lebanon); Charifi, Z. [Physics Department, Faculty of Science, University of M' sila, 28000 M' sila (Algeria); Djaballah, Y. [Laboratoire d’étude Physico-Chimique des Matériaux, Département de Physique, Faculté des Sciences, Université de Batna, Rue Chahid Boukhlouf, 05000 Batna (Algeria)

    2016-09-15

    Density functional theory (DFT) based on the full-potential linearized augmented plane wave (FP-LAPW) method is used to investigate the structural, electronic, magnetic and thermal properties of Co{sub 2}Cr{sub x}Fe{sub 1−x}X (X=Al, Si) full Heusler alloys, with L2{sub 1} structure. The structural properties and spin magnetic moments are investigated by the generalized gradient approximations (GGA) minimizing the total energy. For band structure calculations, GGA, the Engel–Vosko generalized gradient approximation (EVGGA) and modified Becke–Johnson (mBJ) schemes are used. Results of density of states (DOS) and band structures show that these alloys are half-metallic ferromagnets (HMFS). A regular-solution model has been used to investigate the thermodynamic stability of the compounds Co{sub 2}Cr{sub x}Fe{sub 1−x}X that indicates a phase miscibility gap. The thermal effects using the quasi-harmonic Debye model are investigated within the lattice vibrations. The temperature and pressure effects on the heat capacities, Debye temperatures and entropy are determined from the non-equilibrium Gibbs functions. - Highlights: • We present electronic, magnetic and thermal properties of Co{sub 2}Cr{sub x}Fe{sub 1−x}X (X=Al, Si) Heusler alloys. • The calculated phase diagram indicates a significant phase miscibility gap. • The computed band structures of ternary compounds using GGA, EVGGA and mBJ schemes indicate an indirect band gap (Γ-X) for the ternary compounds Co{sub 2}FeAl, Co{sub 2}CrAl, Co{sub 2}FeSi and Co{sub 2}CrSi while both alloys have a direct band gap. • The quasi-harmonic Debye model is successfully applied to determine the thermal properties.

  11. Probing the random distribution of half-metallic Co2Mn1-xFexSi Heusler alloys

    NARCIS (Netherlands)

    Wurmehl, S.; Kohlhepp, J.T.; Swagten, H.J.M.; Koopmans, B.; Wójcik, M.; Balke, B.; Blum, C.G.F.; Ksenofontov, V.; Fecher, G.H.; Felser, C.

    2007-01-01

    Co2Mn1-xFexSi Heusler alloys crystallize in the L21 structure. This structure type requires random distribution of Mn and Fe in case of the mixed alloys. The spin echo nuclear magnetic resonance (NMR) technique probes the direct local environments of the active atoms and is thus able to resolve next

  12. Structure and magnetic properties of Heusler alloy Co{sub 2}RuSi melt-spun ribbons

    Energy Technology Data Exchange (ETDEWEB)

    Xin, Yuepeng; Ma, Yuexing; Hao, Hongyue [School of Materials Science and Engineering, Hebei University of Technology, Tianjin 300130 (China); Luo, Hongzhi, E-mail: luo_hongzhi@163.com [School of Materials Science and Engineering, Hebei University of Technology, Tianjin 300130 (China); Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China); Meng, Fanbin; Liu, Heyan [School of Materials Science and Engineering, Hebei University of Technology, Tianjin 300130 (China); Liu, Enke; Wu, Guangheng [Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China)

    2017-08-01

    Highlights: • New Heusler alloy Co{sub 2}RuSi has been prepared by melt-spinning successfully. • Magnetic and electronic properties of Co{sub 2}RuSi were investigated. • Ru has a strong site preference for A, C sites in the lattice of Co{sub 2}RuSi. • Site preference of Ru cannot be determined by “number of valence electrons”. - Abstract: Heusler alloy Co{sub 2}RuSi has been synthesized by melt-spinning technology successfully. Co{sub 2}RuSi bulk sample after annealing is composed of an HCP Co-rich phase and a BCC Ru-Si phase, but melt-spinning can suppress the precipitation of the HCP phase and produce a single Co{sub 2}RuSi Heusler phase. In the XRD pattern, it is found that Ru has a strong preference for the (A, C) sites, though it has fewer valence electrons compared with Co. This site preference is different from the case in Heusler alloys containing only 3d elements and is supported further by first-principles calculations. Melt-spun Co{sub 2}RuSi has a M{sub s} of 2.67 μ{sub B}/f.u. at 5 K and a Tc of 491 K. An exothermic peak is observed at 871 K in the DTA curve, corresponding to the decomposition of the Heusler phase. Finally, the site preference and magnetic properties of Co{sub 2}RuSi were discussed based on electronic structure calculation and charge density difference.

  13. Multifunctional properties related to magnetostructural transitions in ternary and quaternary Heusler alloys

    Energy Technology Data Exchange (ETDEWEB)

    Dubenko, Igor, E-mail: igor_doubenko@yahoo.com [Department of Physics, Southern Illinois University, Carbondale, IL 62901 (United States); Quetz, Abdiel; Pandey, Sudip; Aryal, Anil; Eubank, Michael [Department of Physics, Southern Illinois University, Carbondale, IL 62901 (United States); Rodionov, Igor; Prudnikov, Valerii; Granovsky, Alexander [Faculty of Physics, Moscow State University, Vorob' evy Gory, 11999I Moscow (Russian Federation); Lahderanta, Erkki [Lappeenranta University of Technology, 53851 (Finland); Samanta, Tapas; Saleheen, Ahmad; Stadler, Shane [Department of Physics & Astronomy, Louisiana State University, Baton Rouge, LA 70803 (United States); Ali, Naushad [Department of Physics, Southern Illinois University, Carbondale, IL 62901 (United States)

    2015-06-01

    In this report, the results of a study on the effects of compositional variations induced by the small changes in concentrations of the parent components and/or by the substitution of Ni, Mn, or In by an extra element Z, on the phase transitions, and phenomena related to the magnetostructural transitions in off-stoichiometric Ni–Mn–In based Heusler alloys are summarized. The crystal structures, phase transitions temperatures, and magnetic and magnetocaloric properties were analyzed for representative samples of the following systems (all near 15 at% indium concentration): Ni–Mn–In, Ni–Mn–In–Si, Ni–Mn–In–B, Ni–Mn–In–Cu, Ni–Mn–In–Cu–B, Ni–Mn–In–Fe, Ni–Mn–In–Ag, and Ni–Mn–In–Al. - Highlights: • The experimental results on phase transitions temperatures, adiabatic temperature changes, magnetoresistance and heat flow for the ternary and quaternary Heusler alloys based on Ni{sub 50}Mn{sub 35}In{sub 15} demonstrate high sensitivity of magnetic properties to the small changes in concentrations of the parent components and/or by the substitution of Ni, Mn, or In by an additional element Z. • The phenomena related to the magnetostructural transitions strongly depend on the weighted average radius of constituent ions.

  14. High thermoelectric figure of merit by resonant dopant in half-Heusler alloys

    Science.gov (United States)

    Chen, Long; Liu, Yamei; He, Jian; Tritt, Terry M.; Poon, S. Joseph

    2017-06-01

    Half-Heusler alloys have been one of the benchmark high temperature thermoelectric materials owing to their thermal stability and promising figure of merit ZT. Simonson et al. early showed that small amounts of vanadium doped in Hf0.75Zr0.25NiSn enhanced the Seebeck coefficient and correlated the change with the increased density of states near the Fermi level. We herein report a systematic study on the role of vanadium (V), niobium (Nb), and tantalum (Ta) as prospective resonant dopants in enhancing the ZT of n-type half-Heusler alloys based on Hf0.6Zr0.4NiSn0.995Sb0.005. The V doping was found to increase the Seebeck coefficient in the temperature range 300-1000 K, consistent with a resonant doping scheme. In contrast, Nb and Ta act as normal n-type dopants, as evident by the systematic decrease in electrical resistivity and Seebeck coefficient. The combination of enhanced Seebeck coefficient due to the presence of V resonant states and the reduced thermal conductivity has led to a state-of-the-art ZT of 1.3 near 850 K in n-type (Hf0.6Zr0.4)0.99V0.01NiSn0.995Sb0.005 alloys.

  15. Electron spin resonance probed competing states in NiMnInSi Heusler alloy

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Y.S. [Center for Condensed Matter Sciences, National Taiwan University, Taipei 10617, Taiwan (China); Lin, J.G., E-mail: jglin@ntu.edu.tw [Center for Condensed Matter Sciences, National Taiwan University, Taipei 10617, Taiwan (China); Titov, I.S.; Granovsky, A.B. [Faculty of Physics, Lomonosov Moscow State University, Vorob' evy Gory, 11999l Moscow (Russian Federation)

    2016-06-01

    Shape memory Heusler alloy Ni{sub 50}Mn{sub 35}In{sub 12}Si{sub 3} is investigated with electron spin resonance (ESR) technique in a temperature range of 200–300 K. ESR is a dynamic probe allowing us to separate the responses from various magnetic phases, thus to study the complex phase transitions. The sample shows three transition temperatures: T{sub c}{sup A} (271 K), T{sub M} (247 K) and T{sub c}{sup M} (212 K), where T{sub c}{sup A} is the Curie temperature of austenitic phase, T{sub M} and T{sub c}{sup M} are the temperatures of magnetostructural martensitic transition and the Curie temperature of martensitic phase, respectively. Furthermore, ESR data reveals the coexistence of two magnetic modes in whole temperature range of 200–300 K. Particularly in martensitic phase, two magnetic modes are attributed to two different kinds of lattice deformation, the slip and twinning deformations. - Highlights: • Electron spin resonance study on magnetocaloric Heusler alloy within 200–300 K. • Magnetic phase separation below and above the structural transition temperature. • Phase competing is in association with different types of lattice distortions. • Electron spin resonance results are complementary to the magnetization data.

  16. Fully Ab-Initio Determination of the Thermoelectric Properties of Half-Heusler NiTiSn: Crucial Role of Interstitial Ni Defects.

    Science.gov (United States)

    Berche, Alexandre; Jund, Philippe

    2018-05-23

    For thermoelectric applications, ab initio methods generally fail to predict the transport properties of the materials because of their inability to predict properly the carrier concentrations that control the electronic properties. In this work, a methodology to fill in this gap is applied on the NiTiSn half Heusler phase. For that, we show that the main defects act as donor of electrons and are responsible of the electronic properties of the material. Indeed, the presence of Ni i interstitial defects explains the experimental valence band spectrum and its associated band gap reported in the literature. Moreover, combining the DOS of the solid solutions with the determination of the energy of formation of charged defects, we show that Ni i defects are also responsible of the measured carrier concentration in experimentally supposed "pure" NiTiSn compounds. Subsequently the thermoelectric properties of NiTiSn can be calculated using a fully ab initio description and an overall correct agreement with experiments is obtained. This methodology can be extended to predict the result of extrinsic doping and thus to select the most efficient dopant for specific thermoelectric applications.

  17. The magnetic hyperfine field in the 181Ta site in the Co2HfAl and Co2HfGa Heusler alloys

    International Nuclear Information System (INIS)

    Silva, R. da.

    1979-01-01

    The hyperfine magnetic fields at 181 Ta nuclei in Heusler alloys Co 2 HfZ (Z=Al, Ga) have been measured using the time differential perturbed gamma-gamma angular correlation (TDPAC) method. The hyperfine fields obtained from these measurements at the liquid nitrogen temperature are -189 and +- 150 kOersted for Co 2 HfAl and Co 2 HfGa, respectively. The concept that the hyperfine field at the Y site is similar to the solute fields in Fe, Co, Ni and Gd matrices is corroborated. We have verified that ratios H sub(hf) sub(Ta)/T sub(c) and H sub(hf) sub(Ta)μ sub(Co) in Co 2 HfZ compounds (Z=Al, Ga, Sn) do not depend on the nature of Z element. However a dependence in the value of observed field with the s-p element in Z site was noticed. We feel that the samples are not completely ordered cubic as observed by the quadrupole interaction measurements. The results are interpreted in terms of the Campbell-Blandin formalism, and it is shown that the spin polarization of conduction electrons at Hf and Ta have opposite signs. (Author) [pt

  18. Effect of Coulomb interactions and Hartree-Fock exchange on structural, elastic, optoelectronic and magnetic properties of Co{sub 2}MnSi Heusler: A comparative study

    Energy Technology Data Exchange (ETDEWEB)

    Lantri, T. [Laboratory of Technology and Solid’s Properties, Faculty of Sciences and Technology, Abdelhamid Ibn Badis University, BP 227, Mostaganem 27000 (Algeria); Bentata, S., E-mail: sam_bentata@yahoo.com [Laboratory of Technology and Solid’s Properties, Faculty of Sciences and Technology, Abdelhamid Ibn Badis University, BP 227, Mostaganem 27000 (Algeria); Bouadjemi, B.; Benstaali, W. [Laboratory of Technology and Solid’s Properties, Faculty of Sciences and Technology, Abdelhamid Ibn Badis University, BP 227, Mostaganem 27000 (Algeria); Bouhafs, B. [Modelling and Simulation in Materials Science Laboratory, Djillali Liabès University of Sidi Bel-Abbès, 22000 Sidi Bel-Abbes (Algeria); Abbad, A. [Laboratory of Technology and Solid’s Properties, Faculty of Sciences and Technology, Abdelhamid Ibn Badis University, BP 227, Mostaganem 27000 (Algeria); Modelling and Simulation in Materials Science Laboratory, Djillali Liabès University of Sidi Bel-Abbès, 22000 Sidi Bel-Abbes (Algeria); Zitouni, A. [Laboratory of Technology and Solid’s Properties, Faculty of Sciences and Technology, Abdelhamid Ibn Badis University, BP 227, Mostaganem 27000 (Algeria)

    2016-12-01

    Using the first-principle calculations, we have investigated the structural, elastic, optoelectronic and magnetic properties of Co{sub 2}MnSi Heusler alloy. Based on the density functional theory (DFT) and hiring the full-potential linearized augmented plane wave (FP-LAPW) method, we have used five approaches: the Hybrid on-site exact exchange, the Local Spin Density Approximation (LSDA), the LSDA+U, the Generalized Gradient Approximation GGA and GGA+U; where the Hubbard on-site Coulomb interaction correction U is calculated by constraint local density approximation for Co and Mn atoms. Our results show that the highly-ordered Co{sub 2}MnSi alloy is a ductile, stiff and anisotropic material. It has a half-metallic ferromagnetic character with an integer magnetic moment of 5 µB which is in good agreement with the Slater-Pauling rule. - Highlights: • Each approach gives a half magnetic compound. • EECE gives the largest gap. • Elastic properties show a stiff, ductile and anisotropic material. • Electronic properties are similar for the five approaches. • Total magnetic moment is the same for the five approaches (5 µB).

  19. Structural, mechanical, electronic and magnetic properties of a new series of quaternary Heusler alloys CoFeMnZ (Z=Si, As, Sb): A first-principle study

    Energy Technology Data Exchange (ETDEWEB)

    Elahmar, M.H.; Rached, H.; Rached, D. [Laboratoire des Matériaux Magnétiques, Faculté des Sciences, Université Djillali Liabès de SidiBel-Abbès, SidiBel-Abbès 22000 (Algeria); Khenata, R., E-mail: khenata_rabah@yahoo.fr [Laboratoire de Physique Quantique et de Modélisation Mathématique, Université de Mascara, 29000 (Algeria); Murtaza, G. [Materials Modeling Lab, Department of Physics, Islamia College Peshawar, KPK (Pakistan); Bin Omran, S. [Department of Physics and Astronomy, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451 (Saudi Arabia); Ahmed, W.K. [ERU, College of Engineering, United Arab Emirates University, Al Ain, Abu Dhabi (United Arab Emirates)

    2015-11-01

    The structural, mechanical, electronic and magnetic properties of the series of Heusler alloys CoFeMnZ (Z=Si, As, and Sb) have been investigated theoretically. The objective is to seek for stable half-metallic ferromagnets materials with Curie temperatures higher than room temperature. The series of CoFeMnZ (Z=Si, As and Sb) is found to exhibit half-metallic ferromagnetism with high magnetic moment and the localized moment in these magnetic compounds resides at the Mn atom. It has been observed that all our compounds have high Curie temperatures with high spin polarizations. - Highlights: • Density functional calculations for CoFeMnZ (Z=Si, As, Sb) compounds are performed. • Half-metallic ferromagnetism in CoFeMnZ (Z=Si, As, Sb) compounds is established. • The magnetic and mechanical properties for CoFeMnZ (Z=As, Sb) are studied for the first time. • The studied compounds possess high Curie temperatures with high spin polarizations.

  20. 119Sn Moessbauer spectroscopy in the magnetically diluted Heusler-type systems

    International Nuclear Information System (INIS)

    Ruebenbauer, K.

    1981-01-01

    119 Sn Moessbauer investigations of the ferromagnetically diluted Nisub(2)Mnsub(x)Bsub(1-x)Sn(B=Ti, V) and Pdsub(2)Mnsub(x)Vsub(1-x)Sn Heusler-type systems have been performed and the results are reviewed and discussed. It has been found that distributions of the transferred hyperfine magnetic field as seen by a tin nucleus are very sensitive for a type of the local magnetic interaction in these simple ferromagnets, especially when studied versus the sample temperature. This sensitivity allows to reach some conclusions about the coupling mechanism between localised manganese magnetic moments. Namely, it is concluded that the interaction beyond the second neighbour shell is practically irrelevant for the magnetic ordering process. This very fact means that the free electron approach to the calculation of exchange integrals can not be applied for these particular systems. (Author)

  1. Observation of giant exchange bias in bulk Mn50Ni42Sn8 Heusler alloy

    Science.gov (United States)

    Sharma, Jyoti; Suresh, K. G.

    2015-02-01

    We report a giant exchange bias (EB) field of 3520 Oe in bulk Mn50Ni42Sn8 Heusler alloy. The low temperature magnetic state of the martensite phase has been studied by DC magnetization and AC susceptibility measurements. Frequency dependence of spin freezing temperature (Tf) on critical slowing down relation and observation of memory effect in zero field cooling mode confirms the super spin glass (SSG) phase at low temperatures. Large EB is attributed to the strong exchange coupling between the SSG clusters formed by small regions of ferromagnetic order embedded in an antiferromagnetic (AFM) matrix. The temperature and cooling field dependence of EB have been studied and related to the change in unidirectional anisotropy at SSG/AFM interface. The training effect also corroborates with the presence of frozen (SSG) moments at the interface and their role in EB.

  2. Thermoelectric Properties of the XCoSb (X: Ti,Zr,Hf) Half-Heusler Alloys

    KAUST Repository

    Gandi, Appala

    2017-09-18

    We investigate the thermoelectric properties of the half-Heusler alloys XCoSb (X: Ti,Zr,Hf) by solving Boltzmann transport equations and discuss them in terms of the electronic band structure. The rigid band approximation is employed to address the effects of doping. While many half-Heuser alloys show excellent thermoelectric performance, the materials under study are special by supporting both n- and p-doping. We identify the reasons for this balanced thermoelectric transport and explain why experimentally p-doping is superior to n-doping. We also determine the spectrum of phonon mean free paths to guide grain refinement methods to enhance the thermoelectric figure of merit.

  3. Large linear magnetoresistance and shubnikov-de hass oscillations in single crystals of YPdBi heusler topological insulators

    KAUST Repository

    Wang, Wenhong

    2013-07-12

    We report the observation of a large linear magnetoresistance (MR) and Shubnikov-de Hass (SdH) quantum oscillations in single crystals of YPdBi Heusler topological insulators. Owning to the successfully obtained the high-quality YPdBi single crystals, large non-saturating linear MR of as high as 350% at 5K and over 120% at 300K under a moderate magnetic field of 7T is observed. In addition to the large, field-linear MR, the samples exhibit pronounced SdH quantum oscillations at low temperature. Analysis of the SdH data manifests that the high-mobility bulk electron carriers dominate the magnetotransport and are responsible for the observed large linear MR in YPdBi crystals. These findings imply that the Heusler-based topological insulators have superiorities for investigating the novel quantum transport properties and developing the potential applications.

  4. Large linear magnetoresistance and shubnikov-de hass oscillations in single crystals of YPdBi heusler topological insulators

    KAUST Repository

    Wang, Wenhong; Du, Yin; Xu, Guizhou; Zhang, Xiaoming; Liu, Enke; Liu, Zhongyuan; Shi, Youguo; Chen, Jinglan; Wu, Guangheng; Zhang, Xixiang

    2013-01-01

    We report the observation of a large linear magnetoresistance (MR) and Shubnikov-de Hass (SdH) quantum oscillations in single crystals of YPdBi Heusler topological insulators. Owning to the successfully obtained the high-quality YPdBi single crystals, large non-saturating linear MR of as high as 350% at 5K and over 120% at 300K under a moderate magnetic field of 7T is observed. In addition to the large, field-linear MR, the samples exhibit pronounced SdH quantum oscillations at low temperature. Analysis of the SdH data manifests that the high-mobility bulk electron carriers dominate the magnetotransport and are responsible for the observed large linear MR in YPdBi crystals. These findings imply that the Heusler-based topological insulators have superiorities for investigating the novel quantum transport properties and developing the potential applications.

  5. Anti-phase boundaries and magnetic domain structures in Ni{sub 2}MnGa-type Heusler alloys

    Energy Technology Data Exchange (ETDEWEB)

    Venkateswaran, S.P. [Department of Materials Science and Engineering, Carnegie Mellon University, 5000 Forbes Avenue, Pittsburgh, PA 15213 (United States); Nuhfer, N.T. [Department of Materials Science and Engineering, Carnegie Mellon University, 5000 Forbes Avenue, Pittsburgh, PA 15213 (United States); De Graef, M. [Department of Materials Science and Engineering, Carnegie Mellon University, 5000 Forbes Avenue, Pittsburgh, PA 15213 (United States)]. E-mail: degraef@cmu.edu

    2007-05-15

    The microstructure and magnetic domain structure of austenitic Heusler Ni{sub 2}MnGa are investigated as a function of heat treatment to study the interplay of anti-phase boundaries and magnetic domain walls. Conventional electron microscopy observations on arc-melted polycrystalline samples show that anti-phase boundaries in this system are invisible for standard two-beam imaging conditions, due to the large extinction distance of the Heusler superlattice reflections. Lorentz Fresnel and Foucault observations on quenched samples reveal a wavy magnetic domain morphology, reminiscent of curved anti-phase boundaries. A close inspection of the domain images indicates that the anti-phase boundaries have a magnetization state different from that of the matrix. Fresnel image simulations for a simple magnetization model are in good agreement with the observations. Magnetic coercivity measurements show a decrease in coercivity with annealing, which correlates with the microscopy observations of reduced anti-phase boundary density for annealed samples.

  6. Spin wave propagation detected over 100 μm in half-metallic Heusler alloy Co2MnSi

    Science.gov (United States)

    Stückler, Tobias; Liu, Chuanpu; Yu, Haiming; Heimbach, Florian; Chen, Jilei; Hu, Junfeng; Tu, Sa; Alam, Md. Shah; Zhang, Jianyu; Zhang, Youguang; Farrell, Ian L.; Emeny, Chrissy; Granville, Simon; Liao, Zhi-Min; Yu, Dapeng; Zhao, Weisheng

    2018-03-01

    The field of magnon spintronics offers a charge current free way of information transportation by using spin waves (SWs). Compared to forward volume spin waves for example, Damon-Eshbach (DE) SWs need a relatively weak external magnetic field which is suitable for small spintronic devices. In this work we study DE SWs in Co2MnSi, a half-metallic Heusler alloy with significant potential for magnonics. Thin films have been produced by pulsed laser deposition. Integrated coplanar waveguide (CPW) antennas with different distances between emitter and detection antenna have been prepared on a Co2MnSi film. We used a vector network analyzer to measure spin wave reflection and transmission. We observe spin wave propagation up to 100 μm, a new record for half-metallic Heusler thin films.

  7. Synthesis, structural, magnetic and optical properties of Sr2CoSn based inverse Heusler alloy nanoparticles

    Science.gov (United States)

    Asvini, V.; Saravanan, G.; Kalaiezhily, R. K.; Ravichandran, K.

    2018-05-01

    The peculiar ternary full Heusler alloy Sr2CoSn nanoparticles are synthesized by co-precipitation method. X- ray diffraction pattern confirms the formation of XA or Xα structure of Sr2CoSn. Using Williamson-Hall plot (W-H plot), we are able to use the uniform deformation model and get low value of strain induced broadening. UV-Visible absorption spectrum shows sharp absorption peak at 210 nm and the estimated band gap energy of Sr2CoSn Heusler alloy nanoparticles is Eg = 4.6 eV (from Tauc plot). The presence of Sr2CoSn with the particle size of approximately 90 nm was observed using high resolution scanning electron microscopy. The magnetization measurements were carried out using VSM and studied M verses H hysteresis studies.

  8. Gallium-containing Heusler phases ScRh{sub 2}Ga, ScPd{sub 2}Ga, TmRh{sub 2}Ga and LuRh{sub 2}Ga. Magnetic and solid state NMR-spectroscopic characterization

    Energy Technology Data Exchange (ETDEWEB)

    Heletta, Lukas; Seidel, Stefan; Poettgen, Rainer [Muenster Univ. (Germany). Inst. fuer Anorganische und Analytische Chemie; Benndorf, Christopher [Leipzig Univ. (Germany). Inst. fuer Mineralogie, Kristallographie und Materialwissenschaften; Eckert, Hellmut [Muenster Univ. (Germany). Inst. fuer Physikalische Chemie; Sao Paulo Univ., Sao Carlos (Brazil). Inst. of Physics

    2017-10-01

    The gallium-containing Heusler phases ScRh{sub 2}Ga, ScPd{sub 2}Ga, TmRh{sub 2}Ga and LuRh{sub 2}Ga have been synthesized by arc-melting of the elements followed by different annealing sequences to improve phase purity. The samples have been studied by powder X-ray diffraction. The structures of Lu{sub 0.97}Rh{sub 2}Ga{sub 1.03} (Fm3m, a=632.94(5) pm, wR2=0.0590, 46 F{sup 2} values, seven variables) and Sc{sub 0.88}Rh{sub 2}Ga{sub 1.12} (a=618.91(4) pm, wR2=0.0284, 44 F{sup 2} values, six variables) have been refined from single crystal X-ray diffractometer data. Both gallides show structural disorder through Lu/Ga and Sc/Ga mixing. Temperature dependent magnetic susceptibility measurements showed Pauli paramagnetism for ScRh{sub 2}Ga, ScPd{sub 2}Ga, and LuRh{sub 2}Ga and Curie-Weiss paramagnetism for TmRh{sub 2}Ga. {sup 45}Sc and {sup 71}Ga solid state MAS NMR spectroscopic investigations of the Sc containing compounds confirmed the site mixing effects typically observed for Heusler phases. The data indicate that the effect of mixed Sc/Ga occupancy is significantly stronger in ScRh{sub 2}Ga than in ScPd{sub 2}Ga.

  9. (V,Nb)-doped half Heusler alloys based on {Ti,Zr,Hf}NiSn with high ZT

    International Nuclear Information System (INIS)

    Rogl, G.; Sauerschnig, P.; Rykavets, Z.; Romaka, V.V.; Heinrich, P.; Hinterleitner, B.; Grytsiv, A.; Bauer, E.; Rogl, P.

    2017-01-01

    Half Heusler alloys are among the most promising materials for thermoelectric generators as they can be used in a wide temperature range and their starting materials are abundant and cheap, the latter as long as no hafnium is involved. For Sb-doped Ti 0.5 Zr 0.25 Hf 0.25 NiSn Sakurada and Shutoh in 2008 have published ZT max  = 1.5 at 690 K, a value that hitherto was never reproduced independently. In this paper we successfully prepared Ti 0.5 Zr 0.25 Hf 0.25 NiSn with ZT max  = 1.5, however, at higher temperature (825 K). As the main goal is to produce hafnium – free half Heusler alloys, we investigated the influence of niobium or vanadium dopants on Ti x Zr 1−x NiSn 0.98 Sb 0.02 , reaching ZTs > 1.2 and thermal-electric conversion efficiencies up to 13.1%. For Hf-free n-type TiNiSn-based half Heusler alloys these values are unsurpassed. In order to further improve our thermoelectric materials our study is completed by electrical resistivity and thermal conductivity data in the low temperature range but also by mechanical properties (elastic moduli, hardness) at room temperature. The electrical properties have been discussed in comparison with DFT calculations.

  10. Electronic Structure Properties and a Bonding Model of Thermoelectric Half-Heusler and Boride Phases

    Science.gov (United States)

    Simonson, Jack William

    Half-Heusler alloys MNiSn and MCoSb (M = Ti, Zr, Hf) and layered boride intermetallics with structure types YCrB4 and Er 3CrB7 were designed, synthesized, and characterized. The thermoelectric properties of these two classes of alloys were measured from room temperature to 1100 K with the intent of indirectly studying their electronic structure properties and gauging not only their suitability but that of related alloys for high temperature thermoelectric power generation. In the case of the half-Heusler alloys, transition metals were substituted to both the M and Ni/Co sites to study the resultant modifications of the d-orbital-rich portion of the electronic structure near the Fermi energy. This modification and subsequent pinning of the Fermi energy within the gap is discussed herein in terms of first principles electronic structure calculations from the literature. In the half-Heusler alloys, it was found that substitution of transition metals invariably led to a decrease in the thermopower, while the resistivity typically maintained its semiconducting trend. On the other hand, Sn doping in MCoSb type alloys -- a dopant that has been known for some time to be efficient -- was shown to result in high ZT at temperatures in excess of 1000 K. Moreover, the band gaps of the transition metal-doped alloys measured in this work offer insight into the discrepancy between the predicted and measured band gaps in the undoped parent compositions. In the case of the layered boride alloys, on the other hand, few electronic calculations have been published, thus prompting the generalization of a well-known electron counting rule -- which is typically used to study molecular organometallics, boranes, and metallocenes -- to predict the trends in the densities of states of crystalline solids that possess the requisite deltahedral bonding geometry. In accordance with these generalized electronic counting rules, alloys of the form RMB4 (R = Y, Gd, Ho; M = Cr, Mo, W) were measured to

  11. Designing magnetic compensated states in tetragonal Mn{sub 3}Ge-based Heusler alloys

    Energy Technology Data Exchange (ETDEWEB)

    You, Yurong; Xu, Guizhou, E-mail: gzxu@njust.edu.cn; Hu, Fang; Gong, Yuanyuan; Liu, Er; Peng, Guo; Xu, Feng, E-mail: xufeng@njust.edu.cn

    2017-05-01

    Magnetic compensated materials attracted much interests due to the observed large exchange bias and large coercivity, and also their potential applications in the antiferromagnetic spintronics with merit of no stray field. In this work, by using ab-initio studies, we designed several Ni (Pd, Pt) doped Mn{sub 3}Ge-based D0{sub 22}-type tetragonal Heusler alloys with fully compensated states. Theoretically, we find the total moment change is asymmetric across the compensation point (at ~x=0.3) in Mn{sub 3-x}Y{sub x}Ge (Y=Ni, Pd, Pt). In addition, an uncommon discontinuous jump is observed across the critical zero-moment point, indicating that some non-trivial properties may emerge at this point. Further electronic analyses of these compensated alloys reveal high spin polarizations at the Fermi level, which is advantageous for spin transfer torque applications. - Highlights: • Several new fully compensated magnetic states are identified in Mn{sub 3}Ge-based tetragonal alloys. • The magnetic moment changes are asymmetric upon Ni, Pd and Pt substitution. • Discontinuous jumps exist across the compensated points. • The three compensated alloys possess large spin polarizations.

  12. Intermartensitic transitions in Ni-Mn-Fe-Cu-Ga Heusler alloys

    International Nuclear Information System (INIS)

    Khan, Mahmud; Gautam, Bhoj; Pathak, Arjun; Dubenko, Igor; Stadler, Shane; Ali, Naushad

    2008-01-01

    A series of Fe doped Ni 2 Mn 0.75-x Fe x Cu 0.25 Ga Heusler alloys have been investigated by means of x-ray diffraction, magnetizations, thermal expansion, and electrical resistivity measurements. In Ni 2 Mn 0.75 Cu 0.25 Ga, martensitic and ferromagnetic transitions occur at the same temperature. Partial substitution of Mn by Fe results in a decrease of the martensitic transition temperature, T M , and an increase of the ferromagnetic transition temperature, T C , resulting in separation of the two transitions. In addition to the martensitic transition, complete thermoelastic intermartensitic transformations have been observed in the Fe doped Ni 2 Mn 0.75-x Fe x Cu 0.25 Ga samples with x>0.04. An unusual transition is observed in the alloy with x = 0.04. The magnetization curve as a function of increasing temperature shows only one first-order transition in the temperature range 5-400 K, which is identified as a typical coupled magnetostructural martensitic transformation. The magnetization curve as a function of decreasing temperature shows three different transitions, which are characterized as the ferromagnetic transition, the martensitic transition and the intermartensitic transition.

  13. Spin transport at high temperatures in epitaxial Heusler alloy/n-GaAs lateral spin valves

    Science.gov (United States)

    Peterson, Timothy A.; Christie, Kevin D.; Patel, Sahil J.; Crowell, Paul A.; Palmstrøm, Chris J.

    2015-03-01

    We report on electrical injection and detection of spin accumulation in ferromagnet/ n-GaAs lateral spin-valve devices, observed up to and above room temperature. The ferromagnet in these measurements is the Heusler alloy Co2FeSi, and the semiconductor channel is GaAs doped at 3 ×1016 cm-3. The spin signal is enhanced by operating the detection contact under forward bias. The enhancement originates from drift effects at low-temperatures and an increase of the detection efficiency at all temperatures. The detector bias dependence of the observed spin-valve signal is interpreted by taking into account the quantum well (QW) which forms in the degenerately doped region immediately behind the Schottky tunnel barrier. In particular, we believe the QW is responsible for the minority spin accumulation (majority spin current) under large forward bias. The spin diffusion length and lifetime are determined by measuring the separation dependence of the non-local spin valve signal in a family of devices patterned by electron beam lithography. A spin diffusion length of 700 nm and lifetime of 46 picoseconds are found at a temperature of 295 K. This work was supported by the NSF under DMR-1104951, the NSF MRSEC program and C-SPIN, a SRC STARNET center sponsored by MARCO and DARPA.

  14. Magnetic and transport properties of granular and Heusler-type glass-coated microwires

    Energy Technology Data Exchange (ETDEWEB)

    Zhukov, Arcady, E-mail: arkadi.joukov@ehu.es [Dpto. Fisica de Materiales, Fac. Quimicas, UPV/EHU, 20018 San Sebastian (Spain); IKERBASQUE, Basque Foundation for Science, 48011 Bilbao (Spain); Garcia, Carlos [Bogazici Univ., Dept. Phys., TR-34342 Istanbul (Turkey); Ilyn, Maxim [Dpto. Fisica de Materiales, Fac. Quimicas, UPV/EHU, 20018 San Sebastian (Spain); Varga, Rastislav [Inst. Phys., Fac. Sci., UPJS, Park Angelinum 9, Kosice (Slovakia); Val, Juan Jose del [Dpto. Fisica de Materiales, Fac. Quimicas, UPV/EHU, 20018 San Sebastian (Spain); Granovsky, Alexander [IKERBASQUE, Basque Foundation for Science, 48011 Bilbao (Spain); Moscow State University, Moscow 119991 (Russian Federation); Rodionova, Valeria [Dpto. Fisica de Materiales, Fac. Quimicas, UPV/EHU, 20018 San Sebastian (Spain); Moscow State University, Moscow 119991 (Russian Federation); Ipatov, Mihail; Zhukova, Valentina [Dpto. Fisica de Materiales, Fac. Quimicas, UPV/EHU, 20018 San Sebastian (Spain)

    2012-10-15

    We studied magnetic and structural properties of granular Co{sub x}Cu{sub 100-x} (5Heusler-type Ni{sub 2}MnGa glass-coated microwires. We found that the structure of Co-Cu microwires consists of two phases: fcc Cu for all the samples and fcc {alpha}-Co present for higher Co content. In the case of low Co content, Co atoms are distributed within the Cu matrix. The quantity and the size of grains strongly depend on the geometry of the microwire. Co-Cu and Fe-Cu microwires exhibited considerable magnetoresistance (MR). For Co{sub x}Cu{sub 100-x} microwires at x{>=}30 the anisotropic contribution to MR has been observed. Temperature dependences of magnetization measured without an external magnetic field (ZFC) and in the presence of a field (FC) show considerable difference below 20 K, indicating the presence of small {alpha}-Fe or Co grains embedded in the Cu matrix. Annealed Ni{sub 2}MnGa microwires showed ferromagnetic behavior with Curie temperature about 330 K and polycrystalline structure with space group I4/mmm and lattice parameters a=3.75 A and c=6.78 A.

  15. Magnetic and transport properties of granular and Heusler-type glass-coated microwires

    International Nuclear Information System (INIS)

    Zhukov, Arcady; Garcia, Carlos; Ilyn, Maxim; Varga, Rastislav; Val, Juan Jose del; Granovsky, Alexander; Rodionova, Valeria; Ipatov, Mihail; Zhukova, Valentina

    2012-01-01

    We studied magnetic and structural properties of granular Co x Cu 100−x (5 63 Fe 37 and Heusler-type Ni 2 MnGa glass-coated microwires. We found that the structure of Co–Cu microwires consists of two phases: fcc Cu for all the samples and fcc α-Co present for higher Co content. In the case of low Co content, Co atoms are distributed within the Cu matrix. The quantity and the size of grains strongly depend on the geometry of the microwire. Co–Cu and Fe–Cu microwires exhibited considerable magnetoresistance (MR). For Co x Cu 100−x microwires at x≥30 the anisotropic contribution to MR has been observed. Temperature dependences of magnetization measured without an external magnetic field (ZFC) and in the presence of a field (FC) show considerable difference below 20 K, indicating the presence of small α-Fe or Co grains embedded in the Cu matrix. Annealed Ni 2 MnGa microwires showed ferromagnetic behavior with Curie temperature about 330 K and polycrystalline structure with space group I4/mmm and lattice parameters a=3.75 Å and c=6.78 Å.

  16. Magnetotransport properties of Ni-Mn-In Heusler Alloys: Giant Hall angle

    Energy Technology Data Exchange (ETDEWEB)

    Dubenko, I; Pathak, A K; Ali, N [Department of Physics, Southern Illinois University, Carbondale, IL 62901 (United States); Kovarskii, Y A; Prudnikov, V N; Perov, N S; Granovsky, A B, E-mail: granov@magn.r [Faculty of Physics, Moscow State University, Moscow, 111991 (Russian Federation)

    2010-01-01

    We report experimental results on phase transitions, magnetic properties, resistivity, and Hall effect in Ni{sub 50}Mn{sub 50-x}In{sub x} (15Heusler alloys. Several distinguishing features of magnetotransport properties were clearly observed in the vicinity of the first order structural martensitic transition at T{sub M} and the ferromagnetic-paramagnetic transition at the Curie temperature T{sub C} of the austenitic phase. It was found that the Hall resistivity {rho}{sub H}(at H = 15 kOe) is positive in martensitic and negative in austenitic phase, sharply increases in the vicinity of T{sub M} up to {rho}{sub H}(15 kOe)= 50 {mu}{Omega}{center_dot}cm. This value is almost two orders of magnitude larger than that observed at high temperature (T{approx}200 K) for any common magnetic materials, and comparable to the giant Hall effect resistivity in magnetic nanogranular alloys. The Hall angle {Theta}{sub H}=tan{sup -} {sup 1}({rho}{sub H}/{rho}) close to T{sub M} reaches tan{sup -1}(0.5) which is the highest value for known magnetic materials.

  17. Simulation of stress-modulated magnetization precession frequency in Heusler-based spin torque oscillator

    International Nuclear Information System (INIS)

    Huang, Houbing; Zhao, Congpeng; Ma, Xingqiao

    2017-01-01

    We investigated stress-modulated magnetization precession frequency in Heusler-based spin transfer torque oscillator by combining micromagnetic simulations with phase field microelasticity theory, by encapsulating the magnetic tunnel junction into multilayers structures. We proposed a novel method of using an external stress to control the magnetization precession in spin torque oscillator instead of an external magnetic field. The stress-modulated magnetization precession frequency can be linearly modulated by externally applied uniaxial in-plane stress, with a tunable range 4.4–7.0 GHz under the stress of 10 MPa. By comparison, the out-of-plane stress imposes negligible influence on the precession frequency due to the large out-of-plane demagnetization field. The results offer new inspiration to the design of spin torque oscillator devices that simultaneously process high frequency, narrow output band, and tunable over a wide range of frequencies via external stress. - Highlights: • We proposed stress-modulated magnetization precession in spin torque oscillator. • The magnetization precession frequency can be linearly modulated by in-plane stress. • The stress also can widen the magnetization frequency range 4.4–7.0 GHz. • The stress-modulated oscillation frequency can simplify STO devices.

  18. Structural, transport, magnetic, magnetocaloric properties and critical analysis of Ni-Co-Mn-Ga Heusler alloys

    Science.gov (United States)

    Arumugam, S.; Devarajan, U.; Esakki Muthu, S.; Singh, Sanjay; Thiyagarajan, R.; Raja, M. Manivel; Rama Rao, N. V.; Banerjee, Alok

    2017-11-01

    In this work, we have investigated structural, transport, magnetic, magnetocaloric (MC) properties and critical exponents analysis of the (Ni2.1-xCox)Mn0.9 Ga (x = 0, 0.04, 0.12 and 0.2) Heusler alloys. For all compositions, cubic austenite (A) phase with metallic character is observed at room temperature (RT). With increasing of Co content, magnitude of resistivity decreases, whereas residual resistivity (ρ0) and electron scattering factor (A) increases linearly. Magnetic measurements exhibit that ferromagnetic (FM) Curie temperature (TCA) increases towards RT by increasing Co concentration. All samples show conventional MC and maximum magnetic entropy change (ΔSMpeak) of -2.8 Jkg-1 K-1 is observed for x = 0.12 at 147 K under 5 T. Further, hysteresis is observed between cooling and warming cycles around FM-PM (TCA) transition in x = 0, 0.04 samples, which suggests that first order nature of transition. However, there is no hysteresis across TCA for x = 0.12 and 0.2 samples suggesting second-order nature of the transition. The critical exponents are calculated for x = 0.12 sample around TCA using Arrott plot and Kouvel-Fisher method, the estimated critical exponents are found closer to the mean-field model reveals the long range ferromagnetic ordering in this composition.

  19. Thickness dependencies of structural and magnetic properties of cubic and tetragonal Heusler alloy bilayer films

    Science.gov (United States)

    Ranjbar, R.; Suzuki, K. Z.; Sugihara, A.; Ando, Y.; Miyazaki, T.; Mizukami, S.

    2017-07-01

    The thickness dependencies of the structural and magnetic properties for bilayers of cubic Co-based Heusler alloys (CCHAs: Co2FeAl (CFA), Co2FeSi (CFS), Co2MnAl (CMA), and Co2MnSi (CMS)) and D022-MnGa were investigated. Epitaxy of the B2 structure of CCHAs on a MnGa film was achieved; the smallest thickness with the B2 structure was found for 3-nm-thick CMS and CFS. The interfacial exchange coupling (Jex) was antiferromagnetic (AFM) for all of the CCHAs/MnGa bilayers except for unannealed CFA/MnGa samples. A critical thickness (tcrit) at which perpendicular magnetization appears of approximately 4-10 nm for the CMA/MnGa and CMS/MnGa bilayers was observed, whereas this thickness was 1-3 nm for the CFA/MnGa and CFS/MnGa films. The critical thickness for different CCHAs materials is discussed in terms of saturation magnetization (Ms) and the Jex .

  20. Structural, magnetic and transport properties of Co2FeAl Heusler films with varying thickness

    International Nuclear Information System (INIS)

    Wang, Xiaotian; Li, Yueqing; Du, Yin; Dai, Xuefang; Liu, Guodong; Liu, Enke; Liu, Zhongyuan; Wang, Wenhong; Wu, Guangheng

    2014-01-01

    We report on a systematic study of the structural, magnetic properties and the anomalous Hall effect, in the Heusler alloy Co 2 FeAl (CFA) epitaxial films on MgO (001), as a function of film thickness. It was found that the epitaxial CFA films show a highly ordered B2 structure with an in-plane uniaxial magnetic anisotropy. The electrical transport properties reveal that the lattice and magnon scattering contributions to the longitudinal resistivity. Independent on the thickness of films, the anomalous Hall resistivity of CFA films is found to be dominated by skew scattering only. Moreover, the anomalous Hall resistivity shows weakly temperature dependent behavior, and its absolute value increases as the thickness decreases. We attribute this temperature insensitivity in the anomalous Hall resistivity to the weak temperature dependent of tunneling spin-polarization in the CFA films, while the thickness dependence behavior is likely due to the increasing significance of interface or free surface electronic states. - Highlights: ●Highly ordered CFA films with various thicknesses were prepared on MgO substrates. ●The magnon scattering contributions to the longitudinal resistivity in the CFA films. ●The anomalous Hall resistivity of the CFA films shows weakly temperature dependent. ●The CFA films show weak temperature dependent of tunneling spin-polarization

  1. High electron mobility and large magnetoresistance in the half-Heusler semimetal LuPtBi

    KAUST Repository

    Hou, Zhipeng

    2015-12-18

    Materials with high carrier mobility showing large magnetoresistance (MR) have recently received much attention because of potential applications in future high-performance magnetoelectric devices. Here, we report on an electron-hole-compensated half-Heusler semimetal LuPtBi that exhibits an extremely high electron mobility of up to 79000cm2/Vs with a nonsaturating positive MR as large as 3200% at 2 K. Remarkably, the mobility at 300 K is found to exceed 10500cm2/Vs, which is among the highest values reported in three-dimensional bulk materials thus far. The clean Shubnikov–de Haas quantum oscillation observed at low temperatures and the first-principles calculations together indicate that the high electron mobility is due to a rather small effective carrier mass caused by the distinctive band structure of the crystal. Our findings provide a different approach for finding large, high-mobility MR materials by designing an appropriate Fermi surface topology starting from simple electron-hole-compensated semimetals.

  2. Growth dependent magnetization reversal in Co2MnAl full Heusler alloy thin films

    Science.gov (United States)

    Barwal, Vineet; Husain, Sajid; Behera, Nilamani; Goyat, Ekta; Chaudhary, Sujeet

    2018-02-01

    Angular dependent magnetization reversal has been investigated in Co2MnAl (CMA) full Heusler alloy thin films grown on Si(100) at different growth temperatures (Ts) by DC-magnetron sputtering. An M -shaped curve is observed in the in-plane angular (0°-360°) dependent coercivity (ADC) by magneto-optical Kerr effect measurements. The dependence of the magnetization reversal on Ts is investigated in detail to bring out the structure-property correlation with regards to ADC in these polycrystalline CMA thin films. This magnetization reversal ( M -shaped ADC behavior) is well described by the two-phase model, which is a combination of Kondorsky (domain wall motion) and Stoner Wohlfarth (coherent rotation) models. In this model, magnetization reversal starts with depinning of domain walls, with their gradual displacement explained by the Kondorsky model, and at a higher field (when the domain walls merge), the system follows coherent rotation before reaching its saturation following the Stoner Wohlfarth model. Further, the analysis of angular dependent squareness ratio (Mr/Ms) indicates that our films clearly exhibited twofold uniaxial anisotropy, which is related to self-steering effect arising due to the obliquely incident flux during the film-growth.

  3. Simulation of stress-modulated magnetization precession frequency in Heusler-based spin torque oscillator

    Energy Technology Data Exchange (ETDEWEB)

    Huang, Houbing, E-mail: hbhuang@ustb.edu.cn; Zhao, Congpeng; Ma, Xingqiao, E-mail: xqma@sas.ustb.edu.cn

    2017-03-15

    We investigated stress-modulated magnetization precession frequency in Heusler-based spin transfer torque oscillator by combining micromagnetic simulations with phase field microelasticity theory, by encapsulating the magnetic tunnel junction into multilayers structures. We proposed a novel method of using an external stress to control the magnetization precession in spin torque oscillator instead of an external magnetic field. The stress-modulated magnetization precession frequency can be linearly modulated by externally applied uniaxial in-plane stress, with a tunable range 4.4–7.0 GHz under the stress of 10 MPa. By comparison, the out-of-plane stress imposes negligible influence on the precession frequency due to the large out-of-plane demagnetization field. The results offer new inspiration to the design of spin torque oscillator devices that simultaneously process high frequency, narrow output band, and tunable over a wide range of frequencies via external stress. - Highlights: • We proposed stress-modulated magnetization precession in spin torque oscillator. • The magnetization precession frequency can be linearly modulated by in-plane stress. • The stress also can widen the magnetization frequency range 4.4–7.0 GHz. • The stress-modulated oscillation frequency can simplify STO devices.

  4. Synthesize and microstructure characterization of Ni43Mn41Co5Sn11 Heusler alloy

    International Nuclear Information System (INIS)

    Elwindari, Nastiti; Manaf, Azwar

    2016-01-01

    The ferromagnetic heusler alloys are promising materials in many technical applications due to their multifunctional properties such as shape memory effect, magnetocaloric effect, giant magnetoresistance, etc. In this work, synthesize and characterization of polycrystalline Ni 43 Mn 41 Co 5 Sn 11 (NMCS) alloy are reported. Alloy preparation was conducted by melting the constitute elements under an innert Argon (Ar) atmosphere in a vacuum mini arc-melting furnace. Homogenization of the microstructure of the as-cast ingot was obtained after annealing process at 750°C for 48 hours. It is shown that the dendrites structure has changed to equaixed grains morphology after homogenization. Microstructure characteristics of material by x-ray diffraction revealed that the alloy has a L 21 -type cubic crystal structure as the main phase at room temperature. In order to induce the shape anisotropy, a forging treatment was applied to show the shape orientation of material. Various enhancements of magnetic properties in a longitudinal direction were observed at various degree of anisotropy. The microstructure changes of as-cast NMCS and effects of homogenization treatments as studied by scanning electron microscopy (SEM) and energy dispersive spectrometry (EDS) are discussed in details.

  5. Study of structural, electronic and magnetic properties of CoFeIn and Co2FeIn Heusler alloys

    International Nuclear Information System (INIS)

    El Amine Monir, M.; Khenata, R.; Baltache, H.; Murtaza, G.; Abu-Jafar, M.S.; Bouhemadou, A.; Bin Omran, S.

    2015-01-01

    The structural, electronic and magnetic properties of half-Heusler CoFeIn and full-Heusler Co 2 FeIn alloys have been investigated by using the state of the art full-potential linearized augmented plane wave (FP-LAPW) method. The exchange-correlation potential was treated with the generalized gradient approximation (PBE-GGA) for the calculation of the structural properties, whereas the PBE-GGA+U approximation (where U is the Hubbard Coulomb energy term) is applied for the computation of the electronic and magnetic properties in order to treat the “d” electrons. The structural properties have been calculated in the paramagnetic and ferromagnetic phases where we have found that both the CoFeIn and Co 2 FeIn alloys have a stable ferromagnetic phase. The obtained results of the spin-polarized band structure and the density of states show that the CoFeIn alloy is a metal and the Co 2 FeIn alloy has a complete half-metallic nature. Through the obtained values of the total spin magnetic moment, we conclude that in general, the Co 2 FeIn alloy is half-metallic ferromagnet material whereas the CoFeIn alloy has a metallic nature. - Highlights: • Based on DFT calculations, CoFeIn and Co2FeIn Heusler alloys were investigated. • The magnetic phase stability was determined from the total energy calculations. • Electronic properties reveal the metallic (half-metallic) nature for CoFeIn (Co2FeIn)

  6. Structural and magnetic characterization of Fe2CrSi Heusler alloy nanoparticles as spin injectors and spin based sensors

    Science.gov (United States)

    Saravanan, G.; Asvini, V.; Kalaiezhily, R. K.; Parveen, I. Mubeena; Ravichandran, K.

    2018-05-01

    Half-metallic ferromagnetic [HMF] nanoparticles are of considerable interest in spintronics applications due to their potential use as a highly spin polarized current source. HMF exhibits a semiconductor in one spin band at the Fermi level Ef and at the other spin band they poses strong metallic nature which shows 100 % spin polarization at Ef. Fe based full Heusler alloys are primary interest due to high Curie temperature. Fe2CrSi Heusler alloys are synthesized using metallic powders of Fe, Cr and Si by mechanical alloying method. X-Ray diffractions studies were performed to analyze the structural details of Fe2CrSi nanoparticles with High resolution scanning electron microscope (HRSEM) studies for the morphological details of nanoparticles and magnetic properties were studied using Vibrating sample magnetometer (VSM). XRD Data analysis conforms the Heusler alloy phase showing the existence of L21 structure. Magnetic properties are measured for synthesized samples exhibiting a soft magnetic property possessing low coercivity (HC = 60.5 Oe) and saturation magnetic moment of Fe2CrSi is 3.16 µB, which is significantly higher than the ideal value of 2 µB from the Slater-Pauling rule due to room temperature measurement. The change in magnetic properties are half-metallic nature of Fe2CrSi is due to the shift of the Fermi level with respect to the gap were can be used as spin sensors and spin injectors in magnetic random access memories and other spin dependent devices.

  7. Low-temperature electron properties of Heusler alloys Fe2VAl and Fe2CrAl: Effect of annealing

    International Nuclear Information System (INIS)

    Podgornykh, S. M.; Svyazhin, A. D.; Shreder, E. I.; Marchenkov, V. V.; Dyakina, V. P.

    2007-01-01

    We present the results of measurements of low-temperature heat capacity, as well as electrical and magnetic properties of Heusler alloys Fe 2 VAl and Fe 2 CrAl prepared in different ways using various heat treatment regimes. The density of states at the Fermi level is estimated. A contribution of ferromagnetic clusters in the low-temperature heat capacity of the Fe 2 VAl alloy is detected. The change in the number and volume of clusters as a result of annealing of an alloy affects the behavior of their low-temperature heat capacity, resistivity, and magnetic properties

  8. Co2FeSi Heusler alloy prepared by arc melting and planar flow casting methods: microstructure and magnetism.

    Czech Academy of Sciences Publication Activity Database

    Titov, Andrii; Životský, O.; Hendrych, A.; Janičkovič, D.; Buršík, Jiří; Jirásková, Yvonna

    2017-01-01

    Roč. 131, č. 4 (2017), s. 654-656 ISSN 0587-4246. [CSMAG 2016 - Czech and Slovak Conference on Magnetism /16./. Košice, 13.06.2016-17.06.2016] Institutional support: RVO:68081723 Keywords : Heusler alloy * Surface morphology * Magnetic properties * Arc melting * Planar flow casting Subject RIV: BM - Solid Matter Physics ; Magnetism; BM - Solid Matter Physics ; Magnetism (UFM-A) OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 0.469, year: 2016

  9. Magnetism and electronic transport in (Cu,Ni)2MnSn Heusler alloys under ambient and elevated pressures

    Czech Academy of Sciences Publication Activity Database

    Bose, S. K.; Kudrnovský, Josef; Drchal, Václav

    2011-01-01

    Roč. 8, Suppl. 1 (2011), P137/1-P137/7 ISSN 1708-5284 R&D Projects: GA ČR GA202/09/0775 Institutional research plan: CEZ:AV0Z10100520 Keywords : Curie temprature * resistivity * spin-disorder resistivity * Heusler alloys * first-principles Subject RIV: BM - Solid Matter Physics ; Magnetism http://wjoe.hebeu.edu.cn/sup.1.2011/B/Bose,%20S.K.%20(Brock%20U.,%20Ontario,%20Canada)%20137.pdf

  10. Magnetocrystalline anisotropy and its electric-field-assisted switching of Heusler-compound-based perpendicular magnetic tunnel junctions

    International Nuclear Information System (INIS)

    Bai, Zhaoqiang; Wu, Qingyun; Zeng, Minggang; Feng, Yuan Ping; Shen, Lei; Cai, Yongqing; Han, Guchang

    2014-01-01

    Employing density functional theory combined with the non-equilibrium Green's function formalism, we systematically investigate the structural, magnetic and magnetoelectric properties of the Co 2 FeAl(CFA)/MgO interface, as well as the spin-dependent transport characteristics of the CFA/MgO/CFA perpendicular magnetic tunnel junctions (p-MTJs). We find that the structure of the CFA/MgO interface with the oxygen-top FeAl termination has high thermal stability, which is protected by the thermodynamic equilibrium limit. Furthermore, this structure is found to have perpendicular magnetocrystalline anisotropy (MCA). Giant electric-field-assisted modifications of this interfacial MCA through magnetoelectric coupling are demonstrated with an MCA coefficient of up to 10 −7 erg V −1 cm. In addition, our non-collinear spin transport calculations of the CFA/MgO/CFA p-MTJ predict a good magnetoresistance performance of the device. (paper)

  11. Extraordinary magnetic and structural properties of the off-stoichiometric and the Co-doped Ni.sub.2./sub.MnGa Heusler alloys under high pressure

    Czech Academy of Sciences Publication Activity Database

    Kamarád, Jiří; Albertini, F.; Arnold, Zdeněk; Fabbrici, S.; Kaštil, Jiří

    2014-01-01

    Roč. 77, Sep (2014), s. 60-67 ISSN 1359-6454 R&D Projects: GA ČR GAP204/12/0692 Institutional support: RVO:68378271 Keywords : Heusler alloys * martensitic transformation * magnetic properties * high pressure Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 4.465, year: 2014

  12. Strong magneto-volume effects and hysteresis reduction in the In-doped (NiCo).sub.2./sub.MnGa Heusler alloys

    Czech Academy of Sciences Publication Activity Database

    Kamarád, Jiří; Fabbrici, S.; Kaštil, Jiří; Míšek, Martin; Cabassi, R.; Cugini, F.; Albertini, F.; Arnold, Zdeněk

    2016-01-01

    Roč. 685, Nov (2016), s. 142-146 ISSN 0925-8388 R&D Projects: GA ČR GA15-03777S Institutional support: RVO:68378271 Keywords : Heusler alloys * martensitic transformation * magnetic properties * high pressure Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.133, year: 2016

  13. Enhancement of magnetic properties of Co{sub 2}MnSi Heusler alloy prepared by mechanical alloying method

    Energy Technology Data Exchange (ETDEWEB)

    Rabie, Naeemeh; Gordani, Gholam Reza; Ghasemi, Ali, E-mail: ali13912001@yahoo.com

    2017-07-15

    Highlights: • Ferromagnetic Heusler alloys of Co{sub 2}MnSi were synthesized at low temperature. • There is an at least 30% reduction in the phase formation temperature. • Saturation magnetization of alloy was increased significantly after annealing. - Abstract: Ferromagnetic Heusler alloys of Co{sub 2}MnSi were synthesized by mechanical alloying method at low temperature. The effect of milling time and annealing process on structural and magnetic properties of ferromagnetic alloy samples were studied by X-ray diffraction, scanning electron microscopy and vibration sample magnetometer methods, respectively. Structural characteristics such as crystallite size, phase percentage, and lattice parameter determined using the Rietveld method. The values of these parameters were obtained 362.9 nm, 5.699 Å and 98.7%, respectively for annealed sample. Magnetization studies show that the Co2MnSi phase is formed at 15 h of milling and is optimized after 20 h of milling. VSM results showed that saturation magnetization (M{sub s}) of milled samples reduces from 112 to 75 (emu/g) with increasing milling time and then increased gradually to 95 emu/g. The effect of post-annealing on the structural and magnetic properties of milled samples was also investigated. The saturation magnetization of annealed sample (120 emu/g) is higher than the optimum milled sample (95 emu/g) due to increasing preferential ordered L2{sub 1} structure.

  14. Magnetic properties of Heusler alloy Mn2RuGe and Mn2RuGa ribbons

    International Nuclear Information System (INIS)

    Yang, Ling; Liu, Bohua; Meng, Fanbin; Liu, Heyan; Luo, Hongzhi; Liu, Enke; Wang, Wenhong; Wu, Guangheng

    2015-01-01

    Heusler alloys Mn 2 RuGe and Mn 2 RuGa have been prepared by melt-spinning method successfully. Theoretical and experimental studies reveal a ferrimagnetic ground state in the two alloys. The Curie temperatures are 303 K for Mn 2 RuGe and 272 K for Mn 2 RuGa. The calculated total spin moments of Mn 2 RuGe and Mn 2 RuGa are integral values of 2.00 μ B and 1.03 μ B , respectively. And the theoretical spin polarization ratio is also quite high. However, due to the atomic disorder in the ribbons, the saturation moments of them measured at 5 K are smaller than the calculated values, especially that of Mn 2 RuGa. This coincides with the disappearance of the superlattice reflection (111) and (200) peaks in the XRD pattern of Mn 2 RuGa. Annealing Mn 2 RuGa ribbon at 773 K can enhance the atomic ordering. Both saturation magnetic moment and Curie temperature increase obviously after the heat treatment. - Highlights: • Mn 2 RuGe and Mn 2 RuGa have been prepared by melt-spinning successfully. • Ferrimagnetic ground state has been confirmed in Mn 2 RuGe and Mn 2 RuGa. • High spin polarization has been predicted in Mn 2 RuGe. • Melt-spinning can be a possible way to adjust the atomic order of Heusler alloys

  15. High performance p-type segmented leg of misfit-layered cobaltite and half-Heusler alloy

    International Nuclear Information System (INIS)

    Hung, Le Thanh; Van Nong, Ngo; Snyder, G. Jeffrey; Viet, Man Hoang; Balke, Benjamin; Han, Li; Stamate, Eugen; Linderoth, Søren; Pryds, Nini

    2015-01-01

    Highlights: • p-type segmented leg of oxide and half-Heusler was for the first time demonstrated. • The maximum conversion efficiency reached a value of about 5%. • The results are among the highest reported values so far for oxide-based legs. • Oxide-based segmented leg is very promising for generating electricity. - Abstract: In this study, a segmented p-type leg of doped misfit-layered cobaltite Ca 2.8 Lu 0.15 Ag 0.05 Co 4 O 9+δ and half-Heusler Ti 0.3 Zr 0.35 Hf 0.35 CoSb 0.8 Sn 0.2 alloy was fabricated and characterized. The thermoelectric properties of single components, segmented leg, and the electrical contact resistance of the joint part were measured as a function of temperature. The output power generation characteristics of segmented legs were characterized in air under various temperature gradients, ΔT, with the hot side temperature up to 1153 K. At ΔT ≈ 756 K, the maximum conversion efficiency reached a value of ∼5%, which is about 65% of that expected from the materials without parasitic losses. The long-term stability investigation for two weeks at the hot and cold side temperatures of 1153/397 K shows that the segmented leg has good durability as a result of stable and low electrical resistance contacts

  16. Structural, electronic, magnetic and optical properties of Ni,Ti/Al-based Heusler alloys. A first-principles approach

    Energy Technology Data Exchange (ETDEWEB)

    Adebambo, Paul O. [Univ. of Agriculture. Abeokuta (Nigeria). Dept. of Physics; McPherson Univ., Abeokuta (Nigeria). Dept. of Physical and Computer Sciences; Adetunji, Bamidele I. [Univ. of Agriculture. Abeokuta (Nigeria). Dept. of Physics; Bells Univ. of Technology, Oto (Nigeria). Dept. of Mathematics; Olowofela, Joseph A. [Univ. of Agriculture. Abeokuta (Nigeria). Dept. of Physics; Oguntuase, James A. [Univ. of Agriculture. Abeokuta (Nigeria). Dept. of Mathematics; Adebayo, Gboyega A. [Univ. of Agriculture. Abeokuta (Nigeria). Dept. of Physics; Abdus Salam International Centre for Theoretical Physics, Trieste (Italy)

    2016-05-01

    In this work, detailed first-principles calculations within the generalised gradient approximation (GGA) of electronic, structural, magnetic, and optical properties of Ni,Ti, and Al-based Heusler alloys are presented. The lattice parameter of C1{sub b} with space group F anti 43m (216) NiTiAl alloys is predicted and that of Ni{sub 2}TiAl is in close agreement with available results. The band dispersion along the high symmetry points W→L→Γ→X→W→K in Ni{sub 2}TiAl and NiTiAl Heusler alloys are also reported. NiTiAl alloy has a direct band gap of 1.60 eV at Γ point as a result of strong hybridization between the d state of the lower and higher valence of both the Ti and Ni atoms. The calculated real part of the dielectric function confirmed the band gap of 1.60 eV in NiTiAl alloys. The present calculations revealed the paramagnetic state of NiTiAl. From the band structure calculations, Ni{sub 2}TiAl with higher Fermi level exhibits metallic properties as in the case of both NiAl and Ni{sub 3}Al binary systems.

  17. Evolution of the electronic structure and physical properties of Fe2MeAl (Me = Ti, V, Cr) Heusler alloys

    International Nuclear Information System (INIS)

    Shreder, E; Streltsov, S V; Svyazhin, A; Makhnev, A; Marchenkov, V V; Lukoyanov, A; Weber, H W

    2008-01-01

    We present the results of experiments on the optical, electrical and magnetic properties and electronic structure and optical spectrum calculations of the Heusler alloys Fe 2 TiAl, Fe 2 VAl and Fe 2 CrAl. We find that the drastic transformation of the band spectrum, especially near the Fermi level, when replacing the Me element (Me = Ti, V, Cr), is accompanied by a significant change in the electrical and optical properties. The electrical and optical properties of Fe 2 TiAl are typical for metals. The abnormal behavior of the electrical resistivity and the optical properties in the infrared range for Fe 2 VAl and Fe 2 CrAl are determined by electronic states at the Fermi level. Both the optical spectroscopic measurements and the theoretical calculations demonstrate the presence of low-energy gaps in the band spectrum of the Heusler alloys. In addition, we demonstrate that the formation of Fe clusters may be responsible for the large enhancement of the total magnetic moment in Fe 2 CrAl

  18. Enhancement of magnetic properties of Co2MnSi Heusler alloy prepared by mechanical alloying method

    International Nuclear Information System (INIS)

    Rabie, Naeemeh; Gordani, Gholam Reza; Ghasemi, Ali

    2017-01-01

    Highlights: • Ferromagnetic Heusler alloys of Co 2 MnSi were synthesized at low temperature. • There is an at least 30% reduction in the phase formation temperature. • Saturation magnetization of alloy was increased significantly after annealing. - Abstract: Ferromagnetic Heusler alloys of Co 2 MnSi were synthesized by mechanical alloying method at low temperature. The effect of milling time and annealing process on structural and magnetic properties of ferromagnetic alloy samples were studied by X-ray diffraction, scanning electron microscopy and vibration sample magnetometer methods, respectively. Structural characteristics such as crystallite size, phase percentage, and lattice parameter determined using the Rietveld method. The values of these parameters were obtained 362.9 nm, 5.699 Å and 98.7%, respectively for annealed sample. Magnetization studies show that the Co2MnSi phase is formed at 15 h of milling and is optimized after 20 h of milling. VSM results showed that saturation magnetization (M s ) of milled samples reduces from 112 to 75 (emu/g) with increasing milling time and then increased gradually to 95 emu/g. The effect of post-annealing on the structural and magnetic properties of milled samples was also investigated. The saturation magnetization of annealed sample (120 emu/g) is higher than the optimum milled sample (95 emu/g) due to increasing preferential ordered L2 1 structure.

  19. Surface thermodynamic stability, electronic and magnetic properties in various (001) surfaces of Zr2CoSn Heusler alloy

    Science.gov (United States)

    Yang, Yan; Feng, Zhong-Ying; Zhang, Jian-Min

    2018-05-01

    The spin-polarized first-principles are used to study the surface thermodynamic stability, electronic and magnetic properties in various (001) surfaces of Zr2CoSn Heusler alloy, and the bulk Zr2CoSn Heusler alloy are also discussed to make comparison. The conduction band minimum (CBM) of half-metallic (HM) bulk Zr2CoSn alloy is contributed by ZrA, ZrB and Co atoms, while the valence band maximum (VBM) is contributed by ZrB and Co atoms. The SnSn termination is the most stable surface with the highest spin polarizations P = 77.1% among the CoCo, ZrCo, ZrZr, ZrSn and SnSn terminations of the Zr2CoSn (001) surface. In the SnSn termination of the Zr2CoSn (001) surface, the atomic partial density of states (APDOS) of atoms in the surface, subsurface and third layers are much influenced by the surface effect and the total magnetic moment (TMM) is mainly contributed by the atomic magnetic moments of atoms in fourth to ninth layers.

  20. Synthesis and characterization of Fe-Ti-Sb intermetallic compounds: Discovery of a new Slater-Pauling phase

    Science.gov (United States)

    Naghibolashrafi, N.; Keshavarz, S.; Hegde, Vinay I.; Gupta, A.; Butler, W. H.; Romero, J.; Munira, K.; LeClair, P.; Mazumdar, D.; Ma, J.; Ghosh, A. W.; Wolverton, C.

    2016-03-01

    Compounds of Fe, Ti, and Sb were prepared using arc melting and vacuum annealing. Fe2TiSb , expected to be a full Heusler compound crystallizing in the L 21 structure, was shown by XRD and SEM analyses to be composed of weakly magnetic grains of nominal composition Fe1.5TiSb with iron-rich precipitates in the grain boundaries. FeTiSb, a composition consistent with the formation of a half-Heusler compound, also decomposed into Fe1.5TiSb grains with Ti-Sb rich precipitates and was weakly magnetic. The dominant Fe1.5TiSb phase appears to crystallize in a defective L 21 -like structure with iron vacancies. Based on this finding, a first-principles DFT-based binary cluster expansion of Fe and vacancies on the Fe sublattice of the L 21 structure was performed. Using the cluster expansion, we computationally scanned >103 configurations and predict a novel, stable, nonmagnetic semiconductor phase to be the zero-temperature ground state. This new structure is an ordered arrangement of Fe and vacancies, belonging to the space group R 3 m , with composition Fe1.5TiSb , i.e., between the full- and half-Heusler compositions. This phase can be visualized as alternate layers of L 21 phase Fe2TiSb and C 1b phase FeTiSb, with layering along the [111] direction of the original cubic phases. Our experimental results on annealed samples support this predicted ground-state composition, but further work is required to confirm that the R 3 m structure is the ground state.

  1. Effect of site disorder on the electronic properties of Fe2VAl Heusler alloy

    International Nuclear Information System (INIS)

    Venkatesh, Ch.; Srinivas, V.; Rao, V.V.; Srivastava, S.K.; Babu, P. Sudheer

    2013-01-01

    Highlights: •The role of site-disorder on physical properties of Fe 2 VAl has been investigated through experiments as well as DFT calculations. •Metal to semiconductor-like behaviour in electrical transport of anti-site disordered Fe 2 VAl was consistently explained. •Both itinerant and localized magnetic behaviours of anti-site disordered Fe 2 VAl are discussed. •Justification of metallic-like transition in site-disordered Fe 2 VAl is given. -- Abstract: Ab initio calculations on ordered L2 1 structure of Fe 2 VAl alloy have been carried out by introducing B2, DO 3 , A2′ and XY–XZ type disorders in order to understand the role of anti-site disorder on magnetic and transport properties. These studies show an enhancement of individual spin moments of anti-site Fe atoms in DO 3 , A2′ and XY–XZ type anti-site disorder, making the Fe 2 VAl alloy magnetically active. These calculations also show that hybridization due to covalent distribution of valance states among the atoms is important in Fe 2 VAl, defining its unusual physical properties. From the density of states spectrum obtained near the Fermi level, we have noticed formation of intermediate defect-like states that couple the edges of the pseudo gap on both sides of the Fermi level, driving the material from semi-metallic to metallic type in electrical transport. We also present experimental results on structural, magnetic and electrical properties of Fe 2 VAl Heusler alloy. A comparison of present experimental data with calculations shows an existence of DO 3 type anti-site disorder due to the Al-deficiency in Fe 2 VAl alloy which causes deviations in theoretical results on the magnetic and transport behaviour of pure Fe 2 VAl. The temperature dependence of electrical transport and magnetic data analysed on the basis of impurity band model which provides convincing evidence for itinerant character of this alloy system with an anti-site disorder

  2. Anomalous Hall effect in ion-beam sputtered Co2FeAl full Heusler alloy thin films

    Science.gov (United States)

    Husain, Sajid; Kumar, Ankit; Akansel, Serkan; Svedlindh, Peter; Chaudhary, Sujeet

    2017-11-01

    Investigations of temperature dependent anomalous Hall effect and longitudinal resistivity in Co2FeAl (CFA) thin films grown on Si(1 0 0) at different substrate temperature Ts are reported. The scaling of the anomalous Hall conductivity (AHC) and the associated phenomenological mechanisms (intrinsic and extrinsic) are analyzed vis-à-vis influence of Ts. The intrinsic contribution to AHC is found to be dominating over the extrinsic one. The appearance of a resistivity minimum at low temperature necessitates the inclusion of quantum corrections on account of weak localization and electron-electron scattering effects whose strength reduces with increase in Ts. The study establishes that the optimization of Ts plays an important role in the improvement of atomic ordering which indicates the higher strength of spin-orbit coupling and leads to the dominant intrinsic contribution to AHC in these CFA full Heusler alloy thin films.

  3. Magnetic and magnetocaloric properties of martensitic Ni2Mn1.4Sn0.6 Heusler alloy

    International Nuclear Information System (INIS)

    Chernenko, Volodymyr A.; Barandiarán, Jose M.; Rodriguez Fernández, Jesus; Rojas, Daniel P.; Gutiérrez, Jon; Lázpita, Patricia; Orue, Iñaki

    2012-01-01

    The evolutions of magnetic properties at low temperatures and the influence of magnetic field on the temperature dependence of specific heat in martensitic Ni 2 Mn 1.4 Sn 0.6 Heusler alloy are studied. The frequency-dependent blocking temperature and considerable exchange bias below it are measured in the martensitic phase. From the analysis of the specific heat curves under magnetic field, a large inverse magnetocaloric effect manifested as the magnetic field induced rise of isothermal magnetic entropy and/or magnetic field induced adiabatic temperature decrease in the vicinity of the reverse magnetostructural transformation and a significant value of the conventional magnetocaloric effect at the Curie temperature are obtained. The Debye temperature and electronic coefficient equal to Θ D =310±2 K and γ= 16.6±0.3 mJ/K 2 mol, respectively, do not depend on the magnetic field.

  4. Magnetic and magnetocaloric properties of Ni-Mn-Cr-Sn Heusler alloys under the effects of hydrostatic pressure

    Science.gov (United States)

    Pandey, Sudip; Us Saleheen, Ahmad; Quetz, Abdiel; Chen, Jing-Han; Aryal, Anil; Dubenko, Igor; Stadler, Shane; Ali, Naushad

    2018-05-01

    The magnetic, thermal, and magnetocaloric properties of Ni45Mn43CrSn11 Heusler alloy have been investigated using differential scanning calorimetry and magnetization with hydrostatic pressure measurements. A shift in the martensitic transition temperature (TM) to higher temperatures was observed with the application of pressure. The application of pressure stabilizes the martensitic state and demonstrated that pressure can be a parameter used to control and tune the martensitic transition temperature (the temperature where the largest magnetocaloric effect is observed). The magnetic entropy change significantly decreases from 33 J/kg K to 16 J/kg K under the application of a hydrostatic pressure of 0.95 GPa. The critical field of the direct metamagnetic transition increases, whereas the initial susceptibility (dM/dH) in the low magnetic field region drastically decreases with increasing pressure. The relevant parameters that affect the magnetocaloric properties are discussed.

  5. The effects of substituting Ag for In on the magnetoresistance and magnetocaloric properties of Ni-Mn-In Heusler alloys

    Directory of Open Access Journals (Sweden)

    Sudip Pandey

    2016-05-01

    Full Text Available The effect of substituting Ag for In on the structural, magnetocaloric, and thermomagnetic properties of Ni50Mn35In15−xAgx (x = 0.1, 0.2, 0.5, and 1 Heusler alloys was studied. The magnitude of the magnetization change at the martensitic transition temperature (TM decreased with increasing Ag concentration. Smaller magnetic entropy changes (ΔSM were observed for the alloys with larger Ag concentrations and the martensitic transition shifted to higher temperature. A shift of TM by about 25 K to higher temperature was observed for an applied hydrostatic pressure of P = 6.6 kbar with respect to ambient pressure. A large drop in resistivity was observed for large Ag concentration. The magnetoresistance was dramatically suppressed due to an increase in the disorder of the system with increasing Ag concentration. Possible mechanisms responsible for the observed behavior are discussed.

  6. Monocrystalline Heusler Co2FeSi alloy glass-coated microwires: Fabrication and magneto-structural characterization

    Science.gov (United States)

    Galdun, L.; Ryba, T.; Prida, V. M.; Zhukova, V.; Zhukov, A.; Diko, P.; Kavečanský, V.; Vargova, Z.; Varga, R.

    2018-05-01

    Large scale production of single crystalline phase of Heusler Co2FeSi alloy microwire is reported. The long microwire (∼1 km) with the metallic nucleus diameter of about 2 μm is characterized by well oriented monocrystalline structure (B2 phase, with the lattice parameter a = 5.615 Å). Moreover, the crystallographic direction [1 0 1] is parallel to the wire's axis along the entire length. Additionally, the wire is characterized by exhibiting a high Curie temperature (Tc > 800 K) and well-defined magnetic anisotropy mainly governed by shape. Electrical resistivity measurement reveals the exponential suppression of the electron-magnon scattering which provides strong evidence on the half-metallic behaviour of this material in the low temperature range.

  7. Pulsed high-magnetic-field experiments: New insights into the magnetocaloric effect in Ni-Mn-In Heusler alloys

    International Nuclear Information System (INIS)

    Salazar Mejía, C.; Nayak, A. K.; Felser, C.; Nicklas, M.; Ghorbani Zavareh, M.; Wosnitza, J.; Skourski, Y.

    2015-01-01

    The present pulsed high-magnetic-field study on Ni 50 Mn 35 In 15 gives an extra insight into the thermodynamics of the martensitic transformation in Heusler shape-memory alloys. The transformation-entropy change, ΔS, was estimated from field-dependent magnetization experiments in pulsed high magnetic fields and by heat-capacity measurements in static fields. We found a decrease of ΔS with decreasing temperature. This behavior can be understood by considering the different signs of the lattice and magnetic contributions to the total entropy. Our results further imply that the magnetocaloric effect will decrease with decreasing temperature and, furthermore, the martensitic transition is not induced anymore by changing the temperature in high magnetic fields

  8. Ab initio study of effect of Co substitution on the magnetic properties of Ni and Pt-based Heusler alloys

    Energy Technology Data Exchange (ETDEWEB)

    Roy, Tufan, E-mail: tufanroyburdwan@gmail.com [Theory and Simulations Lab, HRDS, Raja Ramanna Centre for Advanced Technology, Indore 452013 (India); Homi Bhabha National Institute, Training School Complex, Anushaktinagar, Mumbai 400094 (India); Chakrabarti, Aparna [Theory and Simulations Lab, HRDS, Raja Ramanna Centre for Advanced Technology, Indore 452013 (India); Homi Bhabha National Institute, Training School Complex, Anushaktinagar, Mumbai 400094 (India)

    2017-04-25

    Using density functional theory based calculations, we have carried out in-depth studies of effect of Co substitution on the magnetic properties of Ni and Pt-based shape memory alloys. We show the systematic variation of the total magnetic moment, as a function of Co doping. A detailed analysis of evolution of Heisenberg exchange coupling parameters as a function of Co doping has been presented here. The strength of RKKY type of exchange interaction is found to decay with the increase of Co doping. We calculate and show the trend, how the Curie temperature of the systems vary with the Co doping. - Highlights: • We discuss the effects of Co doping on magnetic properties of Ni/Pt based Heusler alloys. • Indirect RKKY interaction is maximum for shape memory alloy like systems. • We predict Pt{sub 2}MnSn as a probable ferromagnetic shape memory alloy.

  9. Impact fretting wear in CO2-based environments

    International Nuclear Information System (INIS)

    Levy, G.; Morri, J.

    1985-01-01

    An impact wear model, based on the load-sliding distance proportionality of wear and the mechanical response of the impacting bodies, was derived and tested against experiment. The experimental work was carried out on a twin vibrator rig capable of repetitive impact of a moving specimen against a stationary target material. The impact wear characteristics of three materials (mild steel, 9Cr-1Mo steel and austenitic 316 steel) against 310 stainless steel were examined over a range of temperatures (18-600 0 C). Additionally the effects of variations in the mechanical parameters (incident energy, ξ i , number N of impacts and angle of incidence φ) as a function of temperature were evaluated for mild steel only. The model was verified for impacting within a stable wear regime at 100 0 C for 9Cr-1Mo steel. The emergence of a severe-to-mild wear transition at elevated temperatures (200-400 0 C), however, introduced an energy and a 'numbers of cycles' effect that caused apparent deviations from theory. It was concluded that for stable single-mechanism wear regimes (metallic, oxidative etc.) oblique elastic impacts with a gross slip component were accurately described by the proposed impact wear model. (orig.)

  10. Approach to novel design of CO2 based centrifugal compressor

    Directory of Open Access Journals (Sweden)

    Kura Tomasz

    2016-01-01

    Full Text Available Even though turbomachinery design issues have been investigated almost since the beginning of engineering, its optimization process is still important. With the development of refrigeration devices and ORC based distributed generation facilities, a need for efficient and low-energy compressors and turbines became even more demanding. Such machines working with typical fluid, like air, are well described, but there is a room regarding the fluids like CO2, vapour of organic fluids, etc. The main objective of present studies is to propose a numerical model of the centrifugal compressor, with CO2 as the working fluid. Such unit may be a part of refrigeration cycle. Commonly, the scroll or piston compressors are used in such cases, however some discussed disadvantages show that the novel designs should be looked for. Properly designed centrifugal compressors can have higher efficiency than the presently used. Three dimensional analyses of proposed geometries were conducted – using a model including heat, mass and momentum conservation laws as well as ideal gas law. Verification of the proposed mesh and results was performed in the basis of values obtained using theoretical and empirical equations. With about 700 000 control volumes in the validated model, error of the results was no higher than 5%, with only about 1% in regards to the thermal parameters. Two design proposals were analysed, with performance maps as the main comparison factor. Apart from performance characteristics, the pressure and velocity fields were presented, showing the process of flow structure optimization. The main goal was to reduce negative effects of pressure and velocity gradients on the performance. Proposed precursory design might be a good starting point for further development of compressors. The results of numerical analysis were promising and shows the possibility of proposed design usage in practical applications, however to obtain deep understanding of the problem, the experimental analysis should be also done.

  11. Effect of graphene tunnel barrier on Schottky barrier height of Heusler alloy Co2MnSi/graphene/n-Ge junction

    International Nuclear Information System (INIS)

    Li Gui-fang; Hu Jing; Lv Hui; Cui Zhijun; Hou Xiaowei; Liu Shibin; Du Yongqian

    2016-01-01

    We demonstrate that the insertion of a graphene tunnel barrier between Heusler alloy Co 2 MnSi and the germanium (Ge) channel modulates the Schottky barrier height and the resistance–area product of the spin diode. We confirm that the Fermi level is depinned and a reduction in the electron Schottky barrier height (SBH) occurs following the insertion of the graphene layer between Co 2 MnSi and Ge. The electron SBH is modulated in the 0.34 eV–0.61 eV range. Furthermore, the transport mechanism changes from rectifying to symmetric tunneling following the insertion. This behavior provides a pathway for highly efficient spin injection from a Heusler alloy into a Ge channel with high electron and hole mobility. (paper)

  12. Effect of graphene tunnel barrier on Schottky barrier height of Heusler alloy Co2MnSi/graphene/n-Ge junction

    Science.gov (United States)

    Gui-fang, Li; Jing, Hu; Hui, Lv; Zhijun, Cui; Xiaowei, Hou; Shibin, Liu; Yongqian, Du

    2016-02-01

    We demonstrate that the insertion of a graphene tunnel barrier between Heusler alloy Co2MnSi and the germanium (Ge) channel modulates the Schottky barrier height and the resistance-area product of the spin diode. We confirm that the Fermi level is depinned and a reduction in the electron Schottky barrier height (SBH) occurs following the insertion of the graphene layer between Co2MnSi and Ge. The electron SBH is modulated in the 0.34 eV-0.61 eV range. Furthermore, the transport mechanism changes from rectifying to symmetric tunneling following the insertion. This behavior provides a pathway for highly efficient spin injection from a Heusler alloy into a Ge channel with high electron and hole mobility. Project supported by the National Natural Science Foundation of China (Grant No. 61504107) and the Fundamental Research Funds for the Central Universities, China (Grant Nos. 3102014JCQ01059 and 3102015ZY043).

  13. Influence of intermetallic Fe and Co on crystal structure disorder and magnetic property of Ni50Mn32Al18 Heusler alloy

    International Nuclear Information System (INIS)

    Notonegoro, H. A.; Kurniawan, B.; Manaf, A.; Setiawan, J.; Nanto, D.

    2016-01-01

    This works reports a study on structure and magnetic properties influenced by both Fe and Co on Ni 50 Mn 32 Al 18 Heusler alloy as a candidate of magnetocaloric effect (MCE) materials. The Ni-Fe-Mn-Co-Al sample was prepared by arc melting furnace (AMF) in high purity argon atmosphere. X-ray diffraction investigation and magnetic hysteresis were conducted to characterize the synthesized sample. X-ray diffraction using Cu-Kα pattern shows that both Fe and Co introduce a tungsten type disorder of Ni 50 Mn 32 Al 18 Heusler alloy which partially replace the site position of Ni and Mn respectively. However, in this tungsten type disorder, it is difficult to distinguish the exact position of each constituent atom. Therefore, we believe it may allow any exchange interaction of each electron possessed the atom. Interestingly, it produced a significant increase in the value of the hysteresis magnetic saturation. (paper)

  14. Structural stability, electronic and magnetic behaviour of spin-polarized YCoVZ (Z = Si, Ge) and YCoTiZ (Z = Si, Ge) Heusler alloys

    Energy Technology Data Exchange (ETDEWEB)

    Rasool, Muhammad Nasir, E-mail: nasir4iub@gmail.com [Department of Physics, The Islamia University of Bahawalpur, Bahawalpur, 63100 (Pakistan); Hussain, Altaf, E-mail: altafiub@yahoo.com [Department of Physics, The Islamia University of Bahawalpur, Bahawalpur, 63100 (Pakistan); Javed, Athar [Department of Physics, University of the Punjab, Lahore, 54590 (Pakistan); Khan, Muhammad Azhar; Iqbal, F. [Department of Physics, The Islamia University of Bahawalpur, Bahawalpur, 63100 (Pakistan)

    2016-11-01

    The structural stability, electronic and magnetic behaviour of YCoVZ (Z = Si, Ge) and YCoTiZ (Z = Si, Ge) Heusler alloys have been studied by first principle approach. Generalized gradient approximation (GGA) based on density functional theory (DFT) has been applied to investigate the properties of quaternary Heusler alloys. The YCoVSi, YCoVGe, YCoTiSi and YCoTiGe Heusler alloys of Type-3 structure are found to be stable in spin-polarized/magnetic phase. The YCoVSi and YCoVGe alloys exhibit nearly spin gapless semiconductor (SGS) behaviour while YCoTiSi and YCoTiGe alloys show half-metallic ferromagnetic (HMF) behaviour. For YCoVSi, YCoVGe, YCoTiSi and YCoTiGe alloys, the calculated energy band gaps in spin down (↓) channel are 0.60, 0.54, 0.68 and 0.44 eV, respectively. The YCoVZ and YCoTiZ alloys are found to have integral value of total magnetic moment (M{sub T}), thus obeying the Slater-Pauling rule, M{sub T} = (N{sub v}–18)μ{sub B}. - Highlights: • Four Heusler alloys i.e. YCoVZ (Z = Si, Ge) and YCoTiZ (Z = Si, Ge) are studied. • Type-3 crystal structure of all four alloys is stable in magnetic phase. • The compressibility (S) follows the order: S{sub YCoVSi} > S{sub YCoTiSi} > S{sub YCoVGe} > S{sub YCoTiGe}. • Half metallic ferromagnetic behaviour is observed in all four alloys. • All four alloys obey the Slater-Pauling rule, M{sub T} = (N{sub v} – 18)μ{sub B}.

  15. Thermoelectric properties of fine-grained FeVSb half-Heusler alloys tuned to p-type by substituting vanadium with titanium

    International Nuclear Information System (INIS)

    Zou, Minmin; Li, Jing-Feng; Kita, Takuji

    2013-01-01

    Fine-grained Ti-doped FeVSb half-Heusler alloys were synthesized by combining mechanical alloying and spark plasma sintering and their thermoelectric properties were investigated with an emphasis on the influences of Ti doping and phase purity. It was found that substituting V with Ti can change the electrical transport behavior from n-type to p-type due to one less valence electron of Ti than V, and the sample with nominal composition FeV 0.8 Ti 0.4 Sb exhibits the largest Seebeck coefficient and the maximum power factor. By optimizing the sintering temperature and applying annealing treatment, the power factor is significantly improved and the thermal conductivity is reduced simultaneously, resulting in a ZT value of 0.43 at 500 °C, which is relatively high as for p-type half-Heusler alloys containing earth-abundant elements. - Graphical abstract: Fine-grained Ti-doped FeVSb alloys were prepared by the MA-SPS method. The maximum ZT value reaches 0.43 at 500 °C, which is relatively high for p-type half-Heusler alloys. Highlights: ► Ti-doped FeVSb half-Heusler alloys were synthesized by combining MA and SPS. ► Substituting V with Ti changes the electrical behavior from n-type to p-type. ► Thermoelectric properties are improved by optimizing sintering temperature. ► Thermoelectric properties are further improved by applying annealing treatment. ► A high ZT value of 0.43 is obtained at 500 °C for p-type Ti-doped FeVSb alloys.

  16. Electrical resistivity at high temperatures of Heusler alloys of the Cu2MnAl sub(1-x) Sn sub (x)

    International Nuclear Information System (INIS)

    Grandi, T.A.

    1978-01-01

    The structural fase L2 1 of the Heusler alloys Cu 2 MnAl sub (1-x) Sn sub(x), with x varying between 0 and 1, was studied. X-ray diffraction, metallography and diferential termoanalysis techniques were employed. For the alloys with x = 0; 0,05; 0,10 and 0,15 the electrical resistivity measurements were performed in the temperature range 300 K [pt

  17. Electronic and magnetic properties of the Co{sub 2}MnAl/Au interface: Relevance of the Heusler alloy termination

    Energy Technology Data Exchange (ETDEWEB)

    Makinistian, L., E-mail: lmakinistian@santafe-conicet.gov.ar [Instituto de Física del Litoral (CONICET-UNL), Güemes 3450, 3000 Santa Fe (Argentina); Facultad de Ingeniería, Universidad Nacional de Entre Ríos, 3101 Oro Verde (Argentina); Albanesi, E.A. [Instituto de Física del Litoral (CONICET-UNL), Güemes 3450, 3000 Santa Fe (Argentina); Facultad de Ingeniería, Universidad Nacional de Entre Ríos, 3101 Oro Verde (Argentina)

    2015-07-01

    We present ab initio calculations of electronic and magnetic properties of the ferromagnetic metal/normal metal (F/N) interface of the Heusler alloy Co{sub 2}MnAl and gold. Two structural models are implemented: one with the ferromagnet slab terminated in a pure cobalt plane (“Co{sub 2}-t”), and the other with it terminated with a plane of MnAl (“MnAl-t”). The relaxed optimum distance between the slabs is determined for the two models before densities of states, magnetic moments, and the electric potential are resolved and analyzed layer by layer through the interface. Complementary, calculations for the free surfaces of gold and the Heusler alloy (for both models, Co{sub 2}-t and MnAl-t) are performed for a better interpretation of the physics of the interface. We predict important differences between the two models, suggesting that both terminations are to be expected to display sensibly different spin injection performances. - Highlights: • Ab initio electronic and magnetic properties of the interface Co{sub 2}MnAl/Au. • Two terminations were studied: Co{sub 2} and MnAl terminated. • The termination of the Heusler alloy sensibly determines the interface properties. • The Co{sub 2} terminated interface displays a higher spin polarization.

  18. Structure and magnetoresistive properties of current-perpendicular-to-plane pseudo-spin valves using polycrystalline Co2Fe-based Heusler alloy films

    International Nuclear Information System (INIS)

    Nakatani, T.M.; Du, Ye; Takahashi, Y.K.; Furubayashi, T.; Hono, K.

    2013-01-01

    We report current-perpendicular-to-plane giant magnetoresistance (CPP–GMR) of pseudo-spin valves (PSVs) with polycrystalline Co 2 Fe(Al 0.5 Si 0.5 ) (CFAS) and Co 2 Fe(Ga 0.5 Ge 0.5 ) (CFGG) Heusler alloy films. Strongly [0 1 1] textured polycrystalline Heusler alloy films grew on the Ta/Ru/Ag underlayer. Relatively large CPP–GMR values of ΔRA up to 4 mΩ μm 2 and ΔR/R up to 10% were obtained with 5 nm thick Heusler alloy films and Ag spacer layer by annealing CFAS PSV at 450 °C and CFGG PSV at 350 °C. Transmission electron microscopy revealed a flat and sharp interface between the [0 1 1] textured CFAS layers and the [1 1 1] textured Ag spacer layer. Annealing above an optimal temperature for each PSV led to reductions in MR values as a result of the thickening of the spacer layer induced by the Ag diffusion from the outer Ag layers

  19. L2₁ and XA Ordering Competition in Hafnium-Based Full-Heusler Alloys Hf₂VZ (Z = Al, Ga, In, Tl, Si, Ge, Sn, Pb).

    Science.gov (United States)

    Wang, Xiaotian; Cheng, Zhenxiang; Wang, Wenhong

    2017-10-20

    For theoretical designing of full-Heusler based spintroinc materials, people have long believed in the so-called Site Preference Rule (SPR). Very recently, according to the SPR, there are several studies on XA-type Hafnium-based Heusler alloys X₂YZ, i.e., Hf₂VAl, Hf₂CoZ (Z = Ga, In) and Hf₂CrZ (Z = Al, Ga, In). In this work, a series of Hf₂-based Heusler alloys, Hf₂VZ (Z = Al, Ga, In, Tl, Si, Ge, Sn, Pb), were selected as targets to study the site preferences of their atoms by first-principle calculations. It has been found that all of them are likely to exhibit the L2₁-type structure instead of the XA one. Furthermore, we reveal that the high values of spin-polarization of XA-type Hf₂VZ (Z = Al, Ga, In, Tl, Si, Ge, Sn, Pb) alloys have dropped dramatically when they form the L2₁-type structure. Also, we prove that the electronic, magnetic, and physics nature of these alloys are quite different, depending on the L2₁-type or XA-type structures.

  20. Magnetocaloric effect and multifunctional properties of Ni-Mn-based Heusler alloys

    Energy Technology Data Exchange (ETDEWEB)

    Dubenko, Igor, E-mail: igor_doubenko@yahoo.com [Department of Physics, Southern Illinois University, Carbondale, IL 62901 (United States); Samanta, Tapas; Kumar Pathak, Arjun [Department of Physics, Southern Illinois University, Carbondale, IL 62901 (United States); Kazakov, Alexandr; Prudnikov, Valerii [Faculty of Physics, Moscow State University, Vorob' evy Gory, 11999I Moscow (Russian Federation); Stadler, Shane [Department of Physics and Astronomy, Louisiana State University, Baton Rouge, LA 70803 (United States); Granovsky, Alexander [Faculty of Physics, Moscow State University, Vorob' evy Gory, 11999I Moscow (Russian Federation); IKERBASQUE, The Basque Foundation for Science, 48011 Bilbao (Spain); Departamento de Fisica de Materiales, Facultad de Quimica, Universidad del Pais Vasco, Paseo M. de Lardizabal 3, 20018 Donostia - San Sebastian (Spain); Zhukov, Arcady [IKERBASQUE, The Basque Foundation for Science, 48011 Bilbao (Spain); Departamento de Fisica de Materiales, Facultad de Quimica, Universidad del Pais Vasco, Paseo M. de Lardizabal 3, 20018 Donostia - San Sebastian (Spain); Ali, Naushad [Department of Physics, Southern Illinois University, Carbondale, IL 62901 (United States)

    2012-10-15

    The studies of magnetocaloric properties, phase transitions, and phenomena related to magnetic heterogeneity in the vicinity of the martensitic transition (MT) in Ni-Mn-In and Ni-Mn-Ga off-stoichiometric Heusler alloys are summarized. The crystal structure, magnetocaloric effect (MCE), and magnetotransport properties were studied for the following alloys: Ni{sub 50}Mn{sub 50-x}In{sub x}, Ni{sub 50-x}Co{sub x}Mn{sub 35}In{sub 15}, Ni{sub 50}Mn{sub 35-x}Co{sub x}In{sub 15}, Ni{sub 50}Mn{sub 35}In{sub 14}Z (Z=Al, Ge), Ni{sub 50}Mn{sub 35}In{sub 15-x}Si{sub x}, Ni{sub 50-x}Co{sub x}Mn{sub 25+y}Ga{sub 25-y}, and Ni{sub 50-x}Co{sub x}Mn{sub 32-y}FeyGa{sub 18}. It was found that the magnetic entropy change, {Delta}S, associated with the inverse MCE in the vicinity of the temperature of the magneto-structural transition, TM, persists in a range of (125-5) J/(kg K) for a magnetic field change {Delta}H=5 T. The corresponding temperature varies with composition from 143 to 400 K. The MT in Ni{sub 50}Mn{sub 50-x}In{sub x} (x=13.5) results in a transition between two paramagnetic states. Associated with the paramagnetic austenite-paramagnetic martensite transition {Delta}S=24 J/(kg K) was detected for {Delta}H=5 T at T=350 K. The variation in composition of Ni{sub 2}MnGa can drastically change the magnetic state of the martensitic phase below and in the vicinity of TM. The presence of the martensitic phase with magnetic moment much smaller than that in the austenitic phase above TM leads to the large inverse MCE in the Ni{sub 42}Co{sub 8}Mn{sub 32-y}FeyGa{sub 18} system. The adiabatic change of temperature ({Delta}T{sub ad}) in the vicinity of TC and TM of Ni{sub 50}Mn{sub 35}In{sub 15} and Ni{sub 50}Mn{sub 35}In{sub 14}Z (Z=Al, Ge) was found to be {Delta}T{sub ad}=-2 K and 2 K for {Delta}H=1.8 T, respectively. It was observed that |{Delta}T{sub ad}| Almost-Equal-To 1 K for {Delta}H=1 T for both types of transitions. The results on resistivity, magnetoresistance, Hall

  1. Martensitic transformation and magnetic properties of manganese-rich Ni-Mn-In and Ni-Mn-Sn Heusler alloys

    International Nuclear Information System (INIS)

    Krenke, T.

    2007-01-01

    In the present work, the martensitic transition and the magnetic properties of Manganese rich Ni 50 Mn 50-x Sn x and Ni 50 Mn 50-y In y alloys with 5 at%≤x(y)≤25 at% were investigated. Calorimetry, X-ray and neutron diffraction, magnetization, and strain measurements were performed on polycrystalline samples. It was shown that alloys close to the stoichiometric composition Ni 50 Mn 25 Sn 25 and Ni 50 Mn 25 Sn 25 do not exhibit a structural transition on lowering of the temperature, whereas alloys with x≤15 at% Tin and y≤16 at% Indium transform martensitically. The structural transition temperatures increase linearly with decreasing Tin or Indium content. The crystal structures of the low temperature martensite are modulated as well as unmodulated. Alloys with compositions close to stoichiometry are dominated by ferromagnetic interactions, whereas those close to the binary composition Ni 50 Mn 50 order antiferromagnetically. Ferromagnetic order and structural instability coexist in a narrow composition range between 13 at%≤x≤15 at% and 15 at%≤x≤16 at% for Ni 50 Mn 50-x Sn x and Ni 50 Mn 50-y In y respectively. As a consequence, interesting magnetoelastic effects are observed. The Ni 50 Mn 34 In 16 alloy shows a magnetic field-induced structural transition, whereby application of an external magnetic field in the martensitic state stabilizes the high temperature L2 1 structure. Evidence for this was given by neutron diffraction experiments in external magnetic fields. Moreover, the structural transition temperatures of this alloy show large magnetic field dependencies. By use of calorimetry, M(T), and strain measurements, changes in M s up to -11 K/Tesla are observed. Such large values have, until now, not been observed in Heusler alloys. Since during transformation the volume changes reversibly, magnetic field-induced strains of about 0.12 % appear. Additionally, the alloys Ni 50 Mn 35 Sn 15 , Ni 50 Mn 37 Sn 13 , Ni 50 Mn 34 In 16 , Ni 51.5 Mn 33 In

  2. High-pressure and high-temperature physical properties of half-metallic full-Heusler alloy Mn{sub 2}RuSi by first-principles and quasi-harmonic Debye model

    Energy Technology Data Exchange (ETDEWEB)

    Song, Ting [State Key Laboratory of Advanced Processing and Recycling of Non-ferrous Metals, Lanzhou University of Technology, Lanzhou 730050 (China); School of Mathematics and Physics, Lanzhou Jiaotong University, Lanzhou 730070 (China); Ma, Qin, E-mail: maqin_lut@yeah.net [State Key Laboratory of Advanced Processing and Recycling of Non-ferrous Metals, Lanzhou University of Technology, Lanzhou 730050 (China); Sun, Xiao-Wei [School of Mathematics and Physics, Lanzhou Jiaotong University, Lanzhou 730070 (China); Liu, Zi-Jiang [School of Mathematics and Physics, Lanzhou Jiaotong University, Lanzhou 730070 (China); Department of Physics, Lanzhou City University, Lanzhou 730070 (China); Wei, Xiao-Ping [School of Mathematics and Physics, Lanzhou Jiaotong University, Lanzhou 730070 (China); Tian, Jun-Hong [School of Mathematics and Physics, Lanzhou Jiaotong University, Lanzhou 730070 (China); Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065 (China)

    2017-02-15

    First-principles calculations based on density functional theory and quasi-harmonic Debye model are used to investigate the high-pressure and high-temperature physical properties, including the lattice constant, magnetic moment, density of states, pressure-volume-temperature relationship, bulk modulus, thermal expansivity, heat capacity, and Grüneisen parameter for the new Mn-based full-Heusler alloy Mn{sub 2}RuSi in CuHg{sub 2}Ti-type structure. The optimized equilibrium lattice constant is consistent with experimental and other theoretical results. The calculated total spin magnetic moment remains an integral value of 2.0 μ{sub B} in the lattice constant range of 5.454–5.758 Å, and then decreases very slowly with the decrease of lattice constant to 5.333 Å. By the spin resolved density of states calculations, we have shown that Mn{sub 2}RuSi compound presents half-metallic ferrimagnetic properties under the equilibrium lattice constant. The effects of temperature and pressure on bulk modulus, thermal expansivity, heat capacity, and Grüneisen parameter are opposite, which are consistent with a compression rate of volume. Furthermore, the results show that the effect of temperature is larger than pressure for heat capacity and the effect of high temperature and pressure on thermal expansion coefficient is small. All the properties of Mn{sub 2}RuSi alloy are summarized in the pressure range of 0–100 GPa and the temperature up to 1200 K. - Highlights: • High-pressure and high-temperature physical properties of Mn2RuSi were investigated. • Ferrimagnetic ground state has been confirmed in Mn2RuSi alloy. • The first-principle calculations and quasi-harmonic Debye model were used. • The pressure up to 100 GPa and the temperature up to 1200 K.

  3. Strain and order-parameter coupling in Ni-Mn-Ga Heusler alloys from resonant ultrasound spectroscopy

    Science.gov (United States)

    Salazar Mejía, C.; Born, N.-O.; Schiemer, J. A.; Felser, C.; Carpenter, M. A.; Nicklas, M.

    2018-03-01

    Resonant ultrasound spectroscopy and magnetic susceptibility experiments have been used to characterize strain coupling phenomena associated with structural and magnetic properties of the shape-memory Heusler alloy series Ni50 +xMn25 -xGa25 (x =0 , 2.5, 5.0, and 7.5). All samples exhibit a martensitic transformation at temperature TM and ferromagnetic ordering at temperature TC, while the pure end member (x =0 ) also has a premartensitic transition at TP M, giving four different scenarios: TC>TP M>TM,TC>TM without premartensitic transition, TC≈TM , and TC

  4. Impact of Interstitial Ni on the Thermoelectric Properties of the Half-Heusler TiNiSn

    Directory of Open Access Journals (Sweden)

    Sonia A. Barczak

    2018-03-01

    Full Text Available TiNiSn is an intensively studied half-Heusler alloy that shows great potential for waste heat recovery. Here, we report on the structures and thermoelectric properties of a series of metal-rich TiNi1+ySn compositions prepared via solid-state reactions and hot pressing. A general relation between the amount of interstitial Ni and lattice parameter is determined from neutron powder diffraction. High-resolution synchrotron X-ray powder diffraction reveals the occurrence of strain broadening upon hot pressing, which is attributed to the metastable arrangement of interstitial Ni. Hall measurements confirm that interstitial Ni causes weak n-type doping and a reduction in carrier mobility, which limits the power factor to 2.5–3 mW m−1 K−2 for these samples. The thermal conductivity was modelled within the Callaway approximation and is quantitively linked to the amount of interstitial Ni, resulting in a predicted value of 12.7 W m−1 K−1 at 323 K for stoichiometric TiNiSn. Interstitial Ni leads to a reduction of the thermal band gap and moves the peak ZT = 0.4 to lower temperatures, thus offering the possibility to engineer a broad ZT plateau. This work adds further insight into the impact of small amounts of interstitial Ni on the thermal and electrical transport of TiNiSn.

  5. 27Al, 63Cu NMR spectroscopy and electrical transport in Heusler Cu-Mn-Al alloy powders

    Science.gov (United States)

    Nadutov, V. M.; Perekos, A. O.; Kokorin, V. V.; Trachevskii, V. V.; Konoplyuk, S. M.; Vashchuk, D. L.

    2018-02-01

    The ultrafine powder of the Heusler Cu-13,1Mn-12,6Al (wt.%) alloy produced by electrical spark dispersion (ESD) in ethanol and the pellets prepared by pressing of the powders and aged in various gas environment (air, Ar, vacuum) were studied by XRD, nuclear magnetic resonance, magnetic and electric transport methods. The constituent phases were identified as b.c.c. α-Cu-Mn-Al, f.c.c. γ-Cu-Mn-Al, Cu2MnAl, and oxides. The sizes of the coherently scattering domains (CSD) and the saturation magnetizations were in the range of 4-90 nm and 0-1.5 Am2/kg, respectively. 27Al and 63Cu NMR spectra of the powders and pellets have shown hyperfine structure caused by contributions from atomic nuclei of the constituent phases. The aging of pellets in different gas environments had effect on their phase composition but no effect on dispersion of the phases. In contrast to the as-cast alloy, electrical resistance of the pellets evidenced semiconducting behavior at elevated temperatures due to the presence of metal oxides formed on the surfaces of nanoparticles.

  6. Large tunnel magnetoresistance at room temperature with a Co2FeAl full-Heusler alloy electrode

    International Nuclear Information System (INIS)

    Okamura, S.; Miyazaki, A.; Sugimoto, S.; Tezuka, N.; Inomata, K.

    2005-01-01

    Magnetic tunnel junctions (MTJs) with a Co 2 FeAl Heusler alloy electrode are fabricated by the deposition of the film using an ultrahigh vacuum sputtering system followed by photolithography and Ar ion etching. A tunnel magnetoresistance (TMR) of 47% at room temperature (RT) are obtained in a stack of Co 2 FeAl/Al-O x /Co 75 Fe 25 magnetic tunnel junction (MTJ) fabricated on a thermally oxidized Si substrate despite the A2 type atomic site disorder for Co 2 FeAl. There is no increase of TMR in MTJs with the B2 type Co 2 FeAl, which is prepared by the deposition on a heated substrate. X-ray photoelectron spectroscopy (XPS) depth profiles in Co 2 FeAl single layer films reveal that Al atoms in Co 2 FeAl are oxidized preferentially at the surfaces. On the other hand, at the interfaces in Co 2 FeAl/Al-O x /Co 75 Fe 25 MTJs, the ferromagnetic layers are hardly oxidized during plasma oxidation for a formation of Al oxide barriers

  7. Structural, magnetic and transport properties of Co{sub 2}FeAl Heusler films with varying thickness

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Xiaotian [School of Material Sciences and Engineering, Hebei University Technology, Tianjin 300130 (China); Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China); Li, Yueqing [Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China); State Key Laboratory of Metastable Material Sciences and Technology, Yanshan University, Qinhuangdao 066004 (China); Du, Yin [Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China); Dai, Xuefang; Liu, Guodong [School of Material Sciences and Engineering, Hebei University Technology, Tianjin 300130 (China); Liu, Enke [Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China); Liu, Zhongyuan [State Key Laboratory of Metastable Material Sciences and Technology, Yanshan University, Qinhuangdao 066004 (China); Wang, Wenhong, E-mail: wenhong.wang@iphy.ac.cn [Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China); Wu, Guangheng [Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China)

    2014-08-01

    We report on a systematic study of the structural, magnetic properties and the anomalous Hall effect, in the Heusler alloy Co{sub 2}FeAl (CFA) epitaxial films on MgO (001), as a function of film thickness. It was found that the epitaxial CFA films show a highly ordered B2 structure with an in-plane uniaxial magnetic anisotropy. The electrical transport properties reveal that the lattice and magnon scattering contributions to the longitudinal resistivity. Independent on the thickness of films, the anomalous Hall resistivity of CFA films is found to be dominated by skew scattering only. Moreover, the anomalous Hall resistivity shows weakly temperature dependent behavior, and its absolute value increases as the thickness decreases. We attribute this temperature insensitivity in the anomalous Hall resistivity to the weak temperature dependent of tunneling spin-polarization in the CFA films, while the thickness dependence behavior is likely due to the increasing significance of interface or free surface electronic states. - Highlights: ●Highly ordered CFA films with various thicknesses were prepared on MgO substrates. ●The magnon scattering contributions to the longitudinal resistivity in the CFA films. ●The anomalous Hall resistivity of the CFA films shows weakly temperature dependent. ●The CFA films show weak temperature dependent of tunneling spin-polarization.

  8. Hall effect and the magnetotransport properties of Co2MnSi1-xAlx Heusler alloys

    Science.gov (United States)

    Prestigiacomo, Joseph C.; Young, David P.; Adams, Philip W.; Stadler, Shane

    2014-01-01

    We have investigated the transport properties of the quaternary Heusler alloys Co2MnSi1-xAlx (0≤x≤1), which have been theoretically predicted to develop a half-metallic band structure as x →0. Resistivity versus temperature measurements as a function of Al concentration (x) revealed a systematic reduction in the residual resistivity ratio as well as a transition from weakly localized to half-metallic conduction as x →0. From measurements of the ordinary and anomalous Hall effects, the charge carrier concentration was found to increase, while the anomalous Hall coefficient decreased by nearly an order of magnitude with each sample as x →0 (Δx=0.25.). Scaling of the anomalous Hall effect with longitudinal resistivity reveals that both the skew-scattering and intrinsic contributions grow quickly as x →1, indicating that disorder and band-structure effects cause the large anomalous Hall effect magnitudes observed for Co2MnAl.

  9. Temperature dependence of differential conductance in Co-based Heusler alloy Co2TiSn and superconductor Pb junctions

    Science.gov (United States)

    Ooka, Ryutaro; Shigeta, Iduru; Umetsu, Rie Y.; Nomura, Akiko; Yubuta, Kunio; Yamauchi, Touru; Kanomata, Takeshi; Hiroi, Masahiko

    2018-05-01

    We investigated temperature dependence of differential conductance G (V) in planar junctions consisting of Co-based Heusler alloy Co2TiSn and superconductor Pb. Ferromagnetic Co2TiSn was predicted to be half-metal by first-principles band calculations. The spin polarization P of Co2TiSn was deduced to be 60.0% at 1.4 K by the Andreev reflection spectroscopy. The G (V) spectral shape was smeared gradually with increasing temperature and its structure was disappeared above the superconducting transition temperature Tc. Theoretical model analysis revealed that the superconducting energy gap Δ was 1.06 meV at 1.4 K and the Tc was 6.8 K , indicating that both values were suppressed from bulk values. However, the temperature dependent Δ (T) behavior was in good agreement with that of the Bardeen-Cooper-Schrieffer (BCS) theory. The experimental results exhibit that the superconductivity of Pb attached to half-metallic Co2TiSn was kept the conventional BCS mechanism characterized strong-coupling superconductors while its superconductivity was slightly suppressed by the superconducting proximity effect at the Co2TiSn/Pb interface.

  10. Magnetocaloric effect in Heusler alloys Ni50Mn34In16 and Ni50Mn34Sn16

    Science.gov (United States)

    Sharma, V. K.; Chattopadhyay, M. K.; Kumar, Ravi; Ganguli, Tapas; Tiwari, Pragya; Roy, S. B.

    2007-12-01

    We present results of detailed ac susceptibility, magnetization and specific heat measurements in Heusler alloys Ni50Mn34In16 and Ni50Mn34Sn16. These alloys undergo a paramagnetic to ferromagnetic transition around 305 K, which is followed by a martensitic transition in the temperature regime around 220 K. Inside the martensite phase both the alloys show signatures of field-induced transition from martensite to austenite phase. Both field- and temperature-induced martensite-austenite transitions are relatively sharp in Ni50Mn34In16. We estimate the isothermal magnetic entropy change and adiabatic temperature change across the various phase transitions in these alloys and investigate the possible influence of these transitions on the estimated magnetocaloric effect. The sharp martensitic transition in Ni50Mn34In16 gives rise to a comparatively large inverse magnetocaloric effect across this transition. On the other hand the magnitudes of the conventional magnetocaloric effect associated with the paramagnetic to ferromagnetic transition are quite comparable in these alloys.

  11. Direct and indirect measurement of the magnetocaloric effect in bulk and nanostructured Ni-Mn-In Heusler alloy

    Science.gov (United States)

    Ghahremani, Mohammadreza; Aslani, Amir; Hosseinnia, Marjan; Bennett, Lawrence H.; Della Torre, Edward

    2018-05-01

    A systematic study of the magnetocaloric effect of a Ni51Mn33.4In15.6 Heusler alloy converted to nanoparticles via high energy ball-milling technique in the temperature range of 270 to 310 K has been performed. The properties of the particles were characterized by x-ray diffraction, electron microscopy, and magnetometer techniques. Isothermal magnetic field variation of magnetization exhibits field hysteresis in bulk Ni51Mn33.4In15.6 alloy across the martensitic transition which significantly lessened in the nanoparticles. The magnetocaloric effects of the bulk and nanoparticle samples were measured both with direct method, through our state of the art direct test bed apparatus with controllability over the applied fields and temperatures, as well as an indirect method through Maxwell and thermodynamic equations. In direct measurements, nanoparticle sample's critical temperature decreased by 6 K, but its magnetocaloric effect enhanced by 17% over the bulk counterpart. Additionally, when comparing the direct and indirect magnetocaloric curves, the direct method showed 14% less adiabatic temperature change in the bulk and 5% less adiabatic temperature change in the nanostructured sample.

  12. Doping effects on structural and magnetic properties of Heusler alloys Fe2Cr1-xCoxSi

    Science.gov (United States)

    Liu, Yifan; Ren, Lizhu; Zheng, Yuhong; He, Shikun; Liu, Yang; Yang, Ping; Yang, Hyunsoo; Teo, Kie Leong

    2018-05-01

    In this work, 30nm Fe2Cr1-xCoxSi (FCCS) magnetic films were deposited on Cr buffered MgO (100) substrates by sputtering. Fe2Cr0.5Co0.5Si exhibits the largest magnetization and optimal ordered L21 cubic structure at in-situ annealing temperature (Tia) of 450°C. The Co composition dependence of crystalline structures, surface morphology, defects, lattice distortions and their correlation with the magnetic properties are analyzed in detail. The Co-doped samples show in-plane M-H loops with magnetic squareness ratio of 1 and increasing anisotropy energy density with Co composition. Appropriate Co doping composition promotes L21 phase but higher Co composition converts L21 to B2 phase. Doping effect and lattice mismatch both are proved to increase the defect density. In addition, distortions of the FCCS lattice are found to be approximately linear with Co composition. The largest lattice distortion (c/a) is 0.969 for Fe2Cr0.25Co0.75Si and the smallest is 0.983 for Fe2CrSi. Our analyses suggest that these tetragonal distortions mainly induced by an elastic stress from Cr buffer account for the large in-plane anisotropy energy. This work paves the way for further tailoring the magnetic and structural properties of quaternary Heusler alloys.

  13. Tuning martensitic transformation, large magnetoresistance and strain in Ni50-xFexMn36Sn14 Heusler alloys

    Science.gov (United States)

    Liao, Pan; Jing, Chao; Zheng, Dong; Li, Zhe; Kang, Baojuan; Deng, Dongmei; Cao, Shixun; Lu, Bo; Zhang, Jincang

    2015-09-01

    We have investigated the martensitic transformation, exchange bias, magnetoresistance (MR) and strain in Ni50-xFexMn36Sn14 (x=1, 2, 3, 4) Heusler alloys. With the increase of Fe content, the austenite phase could be stabilized with L21 structure and hence the martensitic transition shifts to a lower temperature and finally disappears. This behavior can be understood by the weakening of Ni-Mn hybridization to suppress AFM interactions and enhancement of Fe-Fe ferromagnetic exchange interactions. The same reason can account for the slight decrease of exchange bias field (HEB) with the increase of the Fe content from x=1 to 2 and the disappearance of HEB for x=3. We observed MR effect for x=3, and a maximum MR value of -52% was achieved, which can be explained by the change in the electronic structure during martensitic transformation induced by the magnetic field. In addition, a large strain of 0.207% in Ni49Fe1Mn36Sn14 was observed due to the changes of lattice parameters during the martensitic transformation induced by temperature.

  14. Organolanthanoid compounds

    International Nuclear Information System (INIS)

    Schumann, H.

    1984-01-01

    Up to little more than a decade ago organolanthanoid compounds were still a curiosity. Apart from the description of an isolated number of cyclopentadienyl and indenyl derivatives, very few significant contributions had been made to this interesting sector of organometallic chemistry. However, subsequent systematic studies using modern preparative and analytical techniques, together with X-ray single crystal structure determinations, enabled the isolation and characterization of a large number of very interesting homoleptic and heteroleptic compounds in which the lanthanoid is bound to hydrogen, to substituted or unsubstituted cyclopentadienyl groups, to allyl or alkynyl groups, or even to phosphorus ylides, trimethylsilyl, and carbonylmetal groups. These compounds, which are all extremely sensitive to oxygen and water, open up new possibilities in the field of catalysis and have great potential in organic synthesis - as recent studies with pentamethylcyclopentadienyl derivatives, organolanthanoid(II) compounds, and hexamethyllanthanoid complexes have already shown. (orig.) [de

  15. The effect of disorder on electronic and magnetic properties of quaternary Heusler alloy CoFeMnSi with LiMgPbSb-type structure

    International Nuclear Information System (INIS)

    Feng, Yu; Chen, Hong; Yuan, Hongkuan; Zhou, Ying; Chen, Xiaorui

    2015-01-01

    Thin films based on Heusler alloy often lost their theoretical predicted ultra-high spin polarization owing to the appearance of disorder. Using the first-principles calculations within density functional theory (DFT), we investigate the effect of disorder including antisite and swap on electronic and magnetic properties of quaternary Heusler alloy CoFeMnSi with LiMgPbSb-type structure. Twelve kinds of antisites and six kinds of swap disorders are proposed and studied comprehensively. In our calculations, Co(Fe)-, Mn(Fe)-, Si(Mn)-antisite and Co–Fe swap disorders are most favorable due to their lowest formation energies. Moreover, the positive binding energies of Co–Fe, Co–Si, Fe–Si and Mn–Si swap disorders with respect to their corresponding antisite disorders indicate that these complex swap disorders are more stable compared with their corresponding isolated antisite disorders. The investigations on density of states (DOS) show that the spin down energy gap of disordered structures suffers contraction and their DOS entirely move towards lower zone. Besides, the 100% spin polarization is maintained in all structures with antisite and swap disorders except for those with Co(Mn)-, Co(Si)-antisite and Co–Mn, Co–Si swap disorders. Therefore, the half-metallicity of quaternary Heusler alloy CoFeMnSi is quite robust against interfering effects such as Si(Mn), Co(Fe) and Co–Fe disorders most possibly formed in the growth. - Highlights: • CoFeMnSi with LiMgPbSb-type structure is found to be a half-metallic ferromagnet. • Si(Mn), Co(Fe), Mn(Fe) antisites and Co–Fe swap disorders are most likely to form. • The half-metallicity of CoFeMnSi is robust against the most possible disorders. • The magnetic moments of the most possible disorders follow the Pauli-Slater rule

  16. Study of structural, electronic and magnetic properties of CoFeIn and Co{sub 2}FeIn Heusler alloys

    Energy Technology Data Exchange (ETDEWEB)

    El Amine Monir, M. [Laboratoire de Physique Quantique de la Matière et de la Modélisation Mathématique (LPQ3M), Faculté des Sciences, Université de Mascara, Mascara 29000 (Algeria); Khenata, R., E-mail: khenata_rabah@yahoo.fr [Laboratoire de Physique Quantique de la Matière et de la Modélisation Mathématique (LPQ3M), Faculté des Sciences, Université de Mascara, Mascara 29000 (Algeria); Baltache, H. [Laboratoire de Physique Quantique de la Matière et de la Modélisation Mathématique (LPQ3M), Faculté des Sciences, Université de Mascara, Mascara 29000 (Algeria); Murtaza, G., E-mail: murtaza@icp.edu.pk [Materials Modeling Lab, Department of Physics, Islamia College University, Peshawar (Pakistan); Abu-Jafar, M.S., E-mail: mabujafar@najah.edu [Dipartimento di Fisica Universita di Roma ' La Sapienza' , Roma (Italy); Department of Physics, An-Najah N. University, Nablus, Palestine (Country Unknown); Bouhemadou, A. [Laboratory for Developing New Materials and their Characterization, Department of Physics, Faculty of Science, University of Setif, 19000 Setif (Algeria); Bin Omran, S. [Department of Physics and Astronomy, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451 (Saudi Arabia); and others

    2015-11-15

    The structural, electronic and magnetic properties of half-Heusler CoFeIn and full-Heusler Co{sub 2}FeIn alloys have been investigated by using the state of the art full-potential linearized augmented plane wave (FP-LAPW) method. The exchange-correlation potential was treated with the generalized gradient approximation (PBE-GGA) for the calculation of the structural properties, whereas the PBE-GGA+U approximation (where U is the Hubbard Coulomb energy term) is applied for the computation of the electronic and magnetic properties in order to treat the “d” electrons. The structural properties have been calculated in the paramagnetic and ferromagnetic phases where we have found that both the CoFeIn and Co{sub 2}FeIn alloys have a stable ferromagnetic phase. The obtained results of the spin-polarized band structure and the density of states show that the CoFeIn alloy is a metal and the Co{sub 2}FeIn alloy has a complete half-metallic nature. Through the obtained values of the total spin magnetic moment, we conclude that in general, the Co{sub 2}FeIn alloy is half-metallic ferromagnet material whereas the CoFeIn alloy has a metallic nature. - Highlights: • Based on DFT calculations, CoFeIn and Co2FeIn Heusler alloys were investigated. • The magnetic phase stability was determined from the total energy calculations. • Electronic properties reveal the metallic (half-metallic) nature for CoFeIn (Co2FeIn)

  17. Multipurpose Compound

    Science.gov (United States)

    1983-01-01

    Specially formulated derivatives of an unusual basic compound known as Alcide may be the answer to effective treatment and prevention of the disease bovine mastitis, a bacterial inflammation of a cow's mammary gland that results in loss of milk production and in extreme cases, death. Manufactured by Alcide Corporation the Alcide compound has killed all tested bacteria, virus and fungi, shortly after contact, with minimal toxic effects on humans or animals. Alcide Corporation credits the existence of the mastitis treatment/prevention products to assistance provided the company by NERAC, Inc.

  18. Polymer compound

    NARCIS (Netherlands)

    1995-01-01

    A Polymer compound comprising a polymer (a) that contains cyclic imidesgroups and a polymer (b) that contains monomer groups with a 2,4-diamino-1,3,5-triazine side group. According to the formula (see formula) whereby themole percentage ratio of the cyclic imides groups in the polymer compoundwith

  19. Mesoionic Compounds

    Indian Academy of Sciences (India)

    Organic Chemistry. Kamatak University,. Dharwad. Her research interests are synthesis, reactions and synthetic utility of sydnones. She is currently working on electrochemical and insecticidal/antifungal activities for some of these compounds. Keywords. Aromaticity, mesoionic hetero- cycles, sydnones, tandem re- actions.

  20. Design of Fatigue Resistant Heusler-strengthened PdTi-based Shape Memory Alloys for Biomedical Applications

    Science.gov (United States)

    Frankel, Dana J.

    The development of non-surgical transcatheter aortic valve implantation (TAVI) techniques, which utilize collapsible artificial heart valves with shape memory alloy (SMA)-based frames, pushes performance requirements for biomedical SMAs beyond those for well-established vascular stent applications. Fatigue life for these devices must extend into the ultra-high cycle fatigue (UHCF) regime (>600M cycles) with zero probability of failure predicted at applied strain levels. High rates of Ni-hypersensitivity raise biocompatibility concerns, driving the development of low-Ni and Ni-free SMAs. This work focuses on the development of biocompatible, precipitation-strengthened, fatigue-resistant PdTi-based SMAs for biomedical applications. Functional and structural fatigue are both manifestations of cyclic instability resulting in accumulation of slip and eventual structural damage. While functional fatigue is easily experimentally evaluated, structural fatigue is more difficult to measure without the proper equipment. Therefore, in this work a theoretical approach using a model well validated in steels is utilized to investigate structural fatigue behavior in NiTi in the UHCF regime, while low cycle functional fatigue is evaluated in order to monitor the core phenomena of the cyclic instability. Results from fatigue simulations modeling crack nucleation at non-metallic inclusions in commercial NiTi underscore the importance of increasing yield strength for UHCF performance. Controlled precipitation of nanoscale, low-misfit, L21 Heusler aluminides can provide effective strengthening. Phase relations, precipitation kinetics, transformation temperature, transformation strain, cyclic stability, and mechanical properties are characterized in both Ni-free (Pd,Fe)(Ti,Al) and low-Ni high-strength "hybrid" (Pd,Ni)(Ti,Zr,Al) systems. Atom probe tomography is employed to measure phase compositions and particle sizes used to calibrate LSW models for coarsening kinetics and Gibbs

  1. Ab initio studies on electronic and magnetic properties of X{sub 2}PtGa (X=Cr, Mn, Fe, Co) Heusler alloys

    Energy Technology Data Exchange (ETDEWEB)

    Roy, Tufan, E-mail: aparnachakrabarti@gmail.com [Homi Bhaba National Institute, Training School Complex, Anushakti Nagar, Mumbai 400094 (India); Chakrabarti, Aparna [Homi Bhaba National Institute, Training School Complex, Anushakti Nagar, Mumbai 400094 (India); Indus Synchrotrons Utilization Division, Raja Ramanna Centre for Advanced Technology, Indore 452013 (India)

    2017-02-01

    Using first-principles calculations based on density functional theory, we probe the electronic and magnetic properties of X{sub 2}PtGa (X being Cr, Mn, Fe, Co) Heusler alloys. Our calculations predict that all these systems possess inverse Heusler alloy structure in the respective ground states. Application of tetragonal distortion leads to lowering of energy with respect to their cubic phase. The equilibrium volumes of both the phases are nearly the same. These indicate that the materials studied here are prone to undergo martensite transition, as has been recently shown theoretically for Mn{sub 2}PtGa in the literature. Ground state with a tetragonal symmetry is corroborated by the observation of soft tetragonal shear constants in the cubic phase. By comparing the energies of various types of magnetic configurations we predict that Cr{sub 2}PtGa and Mn{sub 2}PtGa possess ferrimagnetic configuration whereas Fe{sub 2}PtGa and Co{sub 2}PtGa possess ferromagnetic configuration in their respective ground states. - Highlights: • We predict stable martensitic phase of X{sub 2}PtGa (X=Cr, Mn, Fe, Co). • Co{sub 2}PtGa possesses least inherent brittleness among all the materials. • Martensite transitions are possible for the investigated materials. • A tetragonal ground state with high spin polarization is predicted for Co{sub 2}PtGa.

  2. Effect of Spark Plasma Sintering on the Structure and Properties of Ti1−xZrxNiSn Half-Heusler Alloys

    Directory of Open Access Journals (Sweden)

    Ruth A. Downie

    2014-10-01

    Full Text Available XNiSn (X = Ti, Zr and Hf half-Heusler alloys have promising thermoelectric properties and are attracting enormous interest for use in waste heat recovery. In particular, multiphase behaviour has been linked to reduced lattice thermal conductivities, which enables improved energy conversion efficiencies. This manuscript describes the impact of spark plasma sintering (SPS on the phase distributions and thermoelectric properties of Ti0.5Zr0.5NiSn based half-Heuslers. Rietveld analysis reveals small changes in composition, while measurement of the Seebeck coefficient and electrical resistivities reveals that all SPS treated samples are electron doped compared to the as-prepared samples. The lattice thermal conductivities fall between 4 W·m−1·K−1 at 350 K and 3 W·m−1·K−1 at 740 K. A maximum ZT = 0.7 at 740 K is observed in a sample with nominal Ti0.5Zr0.5NiSn composition.

  3. Ab initio studies on electronic and magnetic properties of X2PtGa (X=Cr, Mn, Fe, Co) Heusler alloys

    International Nuclear Information System (INIS)

    Roy, Tufan; Chakrabarti, Aparna

    2017-01-01

    Using first-principles calculations based on density functional theory, we probe the electronic and magnetic properties of X 2 PtGa (X being Cr, Mn, Fe, Co) Heusler alloys. Our calculations predict that all these systems possess inverse Heusler alloy structure in the respective ground states. Application of tetragonal distortion leads to lowering of energy with respect to their cubic phase. The equilibrium volumes of both the phases are nearly the same. These indicate that the materials studied here are prone to undergo martensite transition, as has been recently shown theoretically for Mn 2 PtGa in the literature. Ground state with a tetragonal symmetry is corroborated by the observation of soft tetragonal shear constants in the cubic phase. By comparing the energies of various types of magnetic configurations we predict that Cr 2 PtGa and Mn 2 PtGa possess ferrimagnetic configuration whereas Fe 2 PtGa and Co 2 PtGa possess ferromagnetic configuration in their respective ground states. - Highlights: • We predict stable martensitic phase of X 2 PtGa (X=Cr, Mn, Fe, Co). • Co 2 PtGa possesses least inherent brittleness among all the materials. • Martensite transitions are possible for the investigated materials. • A tetragonal ground state with high spin polarization is predicted for Co 2 PtGa.

  4. Study of the hyperfine magnetic field at Ta181 site in the Heusler Co2 Sc Sn, Co2 Sc Ga and Co2 Hf Sn alloys

    International Nuclear Information System (INIS)

    Attili, R.N.

    1992-01-01

    The hyperfine magnetic fields acting on 181 Ta nuclei at the Sc and Hf sites have been measured in Heusler alloys Co 2 Sc Sn and Co 2 Sc Ga and Co 2 Hf Sn using the Time Differential Perturbed γ-γ Angular Correlation (TDPAC) technique. The measurements were carried out using an automatic spectrometer consisting of two Ba F 2 detectors and the conventional electronics. The magnitude of hyperfine magnetic field at 181 Ta was measured for all the alloys. The signs of the were determined in the cases of Co 2 Sc Sn and Co 2 Hf Sn alloys by performing the Perturbed Angular Correlation measurements with an external polarizing magnetic field of ≅ 5 k Gauss. The hyperfine magnetic fields obtained are -187,6± 3,3 and 90,0 ± 2,1 kOe measured at 77 K for Co 2 Sc Sn and Co 2 Sc Ga alloys respectively, and -342,4 ± 10,1 kOe measured at the room temperature for Co 2 Hf Sn alloy. These results are discussed and compared with the hyperfine magnetic field systematics in Co-based Heusler alloy. (author)

  5. Study of the structural, electronic and magnetic properties of ScFeCrT (T=Si, Ge) Heusler alloys by first principles approach

    Energy Technology Data Exchange (ETDEWEB)

    Rasool, Muhammad Nasir [Department of Physics, The Islamia University of Bahawalpur, Bahawalpur (Pakistan); Hussain, Altaf, E-mail: altafiub@yahoo.com [Department of Physics, The Islamia University of Bahawalpur, Bahawalpur (Pakistan); Javed, Athar, E-mail: athar.physics@pu.edu.pk [Department of Physics, University of the Punjab, Lahore 54590 (Pakistan); Khan, Muhammad Azhar [Department of Physics, The Islamia University of Bahawalpur, Bahawalpur (Pakistan)

    2017-03-15

    Spin polarized structural, electronic, magnetic and bonding properties of ScFeCrT (T=Si, Ge) Heusler alloys are studied by employing density functional theory. The total energy calculation (for a static lattice) shows that both alloys are structurally stable in ferromagnetic phase with compressibility C{sub ScFeCrSi}>C{sub ScFeCrGe}. The electronic and band structure analysis show that the ScFeCrT alloys exhibit half-metallic ferromagnetic (HMF) behaviour for spin ↑ channel while semiconducting behaviour in spin ↓ channel. Both alloys exhibit total magnetic moment, M{sub Total}=3.0 µ{sub B}/cell obeying the Slater Pauling rule, M{sub SPR}=(N{sub v} –18)μ{sub B}. For ScFeCrSi and ScFeCrGe alloys, the charge density and interatomic bonding character show highly covalent and polar covalent character, respectively. For both alloys, 100% spin polarization (for spin ↑ state) is expected which is an indication of their suitability for applications in spintronic devices. - Highlights: • Heusler alloys ScFeCrT (T= Si, Ge) are studied by first principles approach. • Structural, electronic, magnetic and bonding properties are reported. • Both alloys show half-metallicity and ferromagnetic behaviour. • Combination of properties shows the suitability of alloys in spintronic devices.

  6. Magnetic hyperfine fields on 181Ta at the Nb and V sites in Heusler alloys CO2YAL (Y=NB,V)

    International Nuclear Information System (INIS)

    Pendl Junior, W.

    1990-01-01

    Magnetic hyperfine fields (MHF) acting on sup(181)Ta at the Nb and V sites have been determined in the Heusler alloys Co sub(2) NbA1 and Co sub(2) VA1 by the time differential perturbed angular correlation (TDPAC) technique utilizing the well known 133-482 Kev gamma cascade in sup(181)Ta. The measurement were carried out using an automatic spectrometer consisting of three NaI(T1) detectors and a fast-slow coincidence system. The measurements were performed at 77 K with and without an externally applied magnetic field ( ∼ 4.5 KGauss) to determine the sign as well as the magnitude of the hyperfine fields in both alloys. For the alloy Co sub(2) NbA1 a unique field of -138(4) KOe was observed whereas in the case of Co sub(2)VA1 two distinct magnetic sites were observed. The present result show that approximately 24% of the sup(181)Ta atoms in this alloy probe a field of -116(4) KOe while the other ∼ 76% of the atoms feel -83(3) KOe. Present data along with the existing results on similar alloys Co sub(2)T1,Hf,Zr (Al,Ga,Sn) are discussed and compared with the magnetic hyperfine field systematics in Heusler alloys. (author)

  7. A first principle study of phase stability, electronic structure and magnetic properties for Co{sub 2−x}Cr{sub x}MnAl Heusler alloys

    Energy Technology Data Exchange (ETDEWEB)

    Rached, H. [Laboratoire des Matériaux Magnétiques, Faculté des Sciences exactes, Université Djillali Liabès de Sidi Bel-Abbès, Sidi Bel-Abbès 22000 (Algeria); Rached, D., E-mail: rachdj@yahoo.fr [Laboratoire des Matériaux Magnétiques, Faculté des Sciences exactes, Université Djillali Liabès de Sidi Bel-Abbès, Sidi Bel-Abbès 22000 (Algeria); Khenata, R. [Laboratoire de Physique Quantique et de Modélisation Mathématique de la Matière, (LPQ3M), Université de Mascara, Mascara 29000 (Algeria); Abidri, B.; Rabah, M.; Benkhettou, N. [Laboratoire des Matériaux Magnétiques, Faculté des Sciences exactes, Université Djillali Liabès de Sidi Bel-Abbès, Sidi Bel-Abbès 22000 (Algeria); Omran, S. Bin [Department of Physics and Astronomy, College of Science, King Saud University, P.O.Box 2455, Riyadh 11451 (Saudi Arabia)

    2015-04-01

    The structural stabilities, electronic and magnetic properties of Co{sub 2−x}Cr{sub x}MnAl alloys with (x=0,1 and 2) were investigated using the full-potential linear muffin-tin orbital (FP-LMTO) method, in the framework of the density functional theory (DFT) within the generalized gradient approximation (GGA) for the exchange correlation functional. The ground state properties including lattice parameter, bulk modulus for the two considered crystal structures Hg{sub 2}CuTi-Type (X-Type) and Cu{sub 2}MnAl-Type (L2{sub 1}-Type) are calculated. The half-metallicity within ferromagnetic ground state starts to appear in CoCrMnAl and Cr2MnAl. In the objective for the proposition of the new HM-FM in the Full-Heusler alloys, our results classified CoCrMnAl as new HM-FM material with high spin polarization. - Highlights: • Based on DFT calculations, Co2-xCrxMnAl Heusler alloys have been investigated. • The magnetic phase stability was determined from the total energy calculations. • The LMTO calculations have classified CoCrMnAl as new HM-FM material with high spin polarization.

  8. Discovery of Intermetallic Compounds from Traditional to Machine-Learning Approaches.

    Science.gov (United States)

    Oliynyk, Anton O; Mar, Arthur

    2018-01-16

    Intermetallic compounds are bestowed by diverse compositions, complex structures, and useful properties for many materials applications. How metallic elements react to form these compounds and what structures they adopt remain challenging questions that defy predictability. Traditional approaches offer some rational strategies to prepare specific classes of intermetallics, such as targeting members within a modular homologous series, manipulating building blocks to assemble new structures, and filling interstitial sites to create stuffed variants. Because these strategies rely on precedent, they cannot foresee surprising results, by definition. Exploratory synthesis, whether through systematic phase diagram investigations or serendipity, is still essential for expanding our knowledge base. Eventually, the relationships may become too complex for the pattern recognition skills to be reliably or practically performed by humans. Complementing these traditional approaches, new machine-learning approaches may be a viable alternative for materials discovery, not only among intermetallics but also more generally to other chemical compounds. In this Account, we survey our own efforts to discover new intermetallic compounds, encompassing gallides, germanides, phosphides, arsenides, and others. We apply various machine-learning methods (such as support vector machine and random forest algorithms) to confront two significant questions in solid state chemistry. First, what crystal structures are adopted by a compound given an arbitrary composition? Initial efforts have focused on binary equiatomic phases AB, ternary equiatomic phases ABC, and full Heusler phases AB 2 C. Our analysis emphasizes the use of real experimental data and places special value on confirming predictions through experiment. Chemical descriptors are carefully chosen through a rigorous procedure called cluster resolution feature selection. Predictions for crystal structures are quantified by evaluating

  9. Compound odontoma

    Directory of Open Access Journals (Sweden)

    Monica Yadav

    2012-01-01

    Full Text Available Odontomas have been extensively reported in the dental literature, and the term refers to tumors of odontogenic origin. Though the exact etiology is still unknown, the postulated causes include: local trauma, infection, inheritance and genetic mutation. The majority of the lesions are asymptomatic; however, may be accompanied with pain and swelling as secondary complaints in some cases. Here, we report a case of a compound odontome in a 14 year old patient.

  10. Thermoelectrical properties of the compounds ScM{sup VIII}Sb and YM{sup VIII}Sb (M{sup VIII} = Ni, Pd, Pt)

    Energy Technology Data Exchange (ETDEWEB)

    Oestreich, J; Probst, U; Richardt, F; Bucher, E [University of Konstanz, PO Box X916, D-78457 Konstanz (Germany)

    2003-02-05

    The research into new materials with good thermoelectric properties has revealed new compounds consisting of metallic elements (Bando Y, Suemitsu T, Takagi K, Tokushima H, Echizen Y, Katoh K, Umeo K, Maeda Y and Takabatake T 2000 J. Alloys Compounds 313 1-6, Ghelani N, Loo S, Chung D, Sportouch S, Nardi S, Kanatzidis M, Hogan T and Nolas G 2000 Mater. Res. Soc. 626 Z8.6.1). The half-Heusler compound ZrNiSn, in particular, shows promising thermoelectric properties and has been studied by many scientists during recent years (Uher C, Hu S, Yang J, Meisner G P and Morelli D T 1997 Proc. ICT'97: 16th Int. Conf. on Thermoelectrics pp 485-8, Romaka L P, Stadnyk Yu V, Goryn A M, Gorelenko Yu K and Skolozdra R V 1997 Proc. ICT'97: 16th Int. Conf. on Thermoelectrics pp 516-19, Hohl H, Ramirez A P, Goldmann C, Ernst G, Woelfing B and Bucher E 1998 J. Phys.: Condens. Matter 11 1697-709, Oestreich J, Kaefer W, Richardt F, Probst U and Bucher E 1999 Proc. 5th European Workshop on Thermoelectrics pp 192-5). In an effort to find new thermoelectric materials, the half-Heusler compounds of the groups ScM{sup VIII}Sb and YM{sup VIII}Sb (M{sup VIII} = Ni, Pd, Pt) were synthesized by arc melting and the thermoelectric properties were examined by standard characterization methods. Doping experiments showed that it is possible to change the electrical properties of the compounds while retaining the half-Heusler structure. Within the two groups, YPtSb showed the best thermoelectrical properties. At a temperature of 400 K the electrical conductivity of YPtSb is 748{omega}{sup -1} cm{sup -1} and the Seebeck coefficient is 116.3{mu}V K{sup -1}. The thermal conductivity at 400 K extrapolated using the Wiedemann-Franz law is 2.87 W K{sup -1} m{sup -1}. This leads to a dimensionless figure of merit of 0.14.

  11. Magnesium compounds

    Science.gov (United States)

    Kramer, D.A.

    2007-01-01

    Seawater and natural brines accounted for about 52 percent of U.S. magnesium compounds production in 2006. Dead-burned magnesia was produced by Martin Marietta Magnesia Specialties from well brines in Michigan. Caustic-calcined magnesia was recovered from sea-water by Premier Chemicals in Florida; from well brines in Michigan by Martin Marietta and Rohm and Haas; and from magnesite in Nevada by Premier Chemicals. Intrepid Potash-Wendover and Great Salt Lake Minerals recovered magnesium chloride brines from the Great Salt Lake in Utah. Magnesium hydroxide was produced from brucite by Applied Chemical Magnesias in Texas, from seawater by SPI Pharma in Delaware and Premier Chemicals in Florida, and by Martin Marietta and Rohm and Haas from their operations mentioned above. About 59 percent of the magnesium compounds consumed in the United States was used for refractories that are used mainly to line steelmaking furnaces. The remaining 41 percent was consumed in agricultural, chemical, construction, environmental and industrial applications.

  12. Compound odontoma

    Directory of Open Access Journals (Sweden)

    José Marcelo Vargas Pinto

    2008-01-01

    Full Text Available Odontomas are the most common types of odontogenic tumors, as they are considered more as a developmental anomaly (hamartoma than as a true neoplasia. The aim of the present study is to describe a clinical case of compound odontoma, analyzing its most commonsigns, its region of location, the decade of life and patient’s gender, disorders that may occur as well as the treatment proposed. In order to attain this objective, the method was description of the present clinical case and bibliographic revision, arriving at the result that the treatment for this type of lesion invariably is surgical removal (enucleation and curettage and the prognosis is excellent. The surgical result was followed up in the post-operative period by radiographic exam, and it was possible to conclude that there was complete cicatrization and tissue repair.

  13. Magnesium compounds

    Science.gov (United States)

    Kramer, D.A.

    2012-01-01

    Seawater and natural brines accounted for about 57 percent of magnesium compounds produced in the United States in 2011. Dead-burned magnesia was produced by Martin Marietta Magnesia Specialties LLC from well brines in Michigan. Caustic-calcined magnesia was recovered from seawater by Premier Magnesia LLC in Florida, from well brines in Michigan by Martin Marietta and from magnesite in Nevada by Premier Magnesia. Intrepid Potash Wendover LLC and Great Salt Lake Minerals Corp. recovered magnesium chloride brines from the Great Salt Lake in Utah. Magnesium hydroxide was produced from seawater by SPI Pharma Inc. in Delaware and Premier Magnesia in Florida, and by Martin Marietta from its brine operation in Michigan.

  14. Ion beam induced modification of exchange interaction and spin-orbit coupling in the Co2FeSi Heusler compound

    International Nuclear Information System (INIS)

    Hamrle, J; Blomeier, S; Gaier, O; Hillebrands, B; Schneider, H; Jakob, G; Reuscher, B; Brodyanski, A; Kopnarski, M; Postava, K; Felser, C

    2007-01-01

    A Co 2 FeSi (CFS) film with L2 1 structure was irradiated with different fluences of 30 keV Ga + ions. Structural modifications were subsequently studied using the longitudinal (LMOKE) and quadratic (QMOKE) magneto-optical Kerr effect. Both the coercivity and the LMOKE amplitude were found to show a similar behaviour upon irradiation: they are nearly constant up to ion fluences of ∼6 x 10 15 ion cm -2 , while they decrease with further increasing fluences and finally vanish at a fluence of ∼9 x 10 16 ion cm -2 , when the sample becomes paramagnetic. However, contrary to this behaviour, the QMOKE signal nearly vanishes even for the smallest applied fluence of 3 x 10 14 ion cm -2 . We attribute this reduction of the QMOKE signal to an irradiation-induced degeneration of second or higher order spin-orbit coupling, which already happens at small fluences of 30 keV Ga + ions. On the other hand, the reduction of coercivity and LMOKE signal with high ion fluences is probably caused by a reduction of the exchange interaction within the film material

  15. Ab initio and Monte Carlo investigations of structural, electronic and magnetic properties of new ferromagnetic Heusler alloys with high Curie temperatures

    Energy Technology Data Exchange (ETDEWEB)

    Dannenberg, Antje

    2011-08-30

    The mechanism which causes many of the unusual thermomechanical properties of martensitic alloys, as for example, superelasticity and the shape-memory effect, is the martensitic transformation. The prototype ferromagnetic shape memory alloy (FSMA) is Ni{sub 2}MnGa. But a technological breakthrough is missing due to its poor ductility and low operation temperatures. The goal of this thesis is the proposal of new FSMA appropriate for future technological applications. I focus on X{sub 2}YZ Heusler alloys which are mainly based on Mn, Fe, Co, and Ni for the X and Y sites and Z=Ga or Zn. The big challenge of this work is to find material classes which combine the unique magnetomechanical properties of FSMA which are large recoverable magnetostrictive strains, high magnetocrystalline anisotropy energy, and highly mobile twin boundaries with transformation temperatures clearly above room temperature and a reduced brittleness. Such a study, providing material classes which from a theoretical point of view are promising candidates for future FSMA, will help the experimental physicists to select interesting subgroups in the vast number of possible chemical compositions of X{sub 2}YZ Heusler alloys. I have systematically varied the composition in the new Heusler alloys in order to find trends indicating generic tendencies of the material properties, for instance, as a function of the valence electron concentration e/a. A main feature of this thesis is the attempt to find the origin of the competing structural ordering tendencies between conventional X{sub 2}YZ and inverse (XY)XZ Heusler structures which are observed for all systems investigated. In the first part of this work the accuracy and predictive power of ab initio and Monte Carlo simulations is demonstrated by reproducing the experimental phase diagram of Ni-Mn-(Ga,In,Sn,Sb). The linear increasing and decreasing slopes of T{sub M} and T{sub C} can be reproduced by total and free energy calculations and the analysis

  16. Observation of giant exchange bias in bulk Mn{sub 50}Ni{sub 42}Sn{sub 8} Heusler alloy

    Energy Technology Data Exchange (ETDEWEB)

    Sharma, Jyoti; Suresh, K. G., E-mail: suresh@iitb.ac.in [Magnetic Materials Laboratory, Department of Physics, Indian institute of Technology Bombay, Mumbai, Maharashtra 400076 (India)

    2015-02-16

    We report a giant exchange bias (EB) field of 3520 Oe in bulk Mn{sub 50}Ni{sub 42}Sn{sub 8} Heusler alloy. The low temperature magnetic state of the martensite phase has been studied by DC magnetization and AC susceptibility measurements. Frequency dependence of spin freezing temperature (T{sub f}) on critical slowing down relation and observation of memory effect in zero field cooling mode confirms the super spin glass (SSG) phase at low temperatures. Large EB is attributed to the strong exchange coupling between the SSG clusters formed by small regions of ferromagnetic order embedded in an antiferromagnetic (AFM) matrix. The temperature and cooling field dependence of EB have been studied and related to the change in unidirectional anisotropy at SSG/AFM interface. The training effect also corroborates with the presence of frozen (SSG) moments at the interface and their role in EB.

  17. Structural stability, electronic structure and magnetic properties of the new hypothetical half-metallic ferromagnetic full-Heusler alloy CoNiMnSi

    Directory of Open Access Journals (Sweden)

    Elahmar M.H.

    2016-03-01

    Full Text Available We investigated the structural stability as well as the mechanical, electronic and magnetic properties of the Full-Heusler alloy CoNiMnSi using the full-potential linearized augmented plane wave (FP-LAPW method. Two generalized gradient approximations (GGA and GGA + U were used to treat the exchange-correlation energy functional. The ground state properties of CoNiMnSi including the lattice parameter and bulk modulus were calculated. The elastic constants (Cij and their related elastic moduli as well as the thermodynamic properties for CoNiMnSi have been calculated for the first time. The existence of half-metallic ferromagnetism (HM-FM in this material is apparent from its band structure. Our results classify CoNiMnSi as a new HM-FM material with high spin polarization suitable for spintronic applications.

  18. Suppression of the ferromagnetic order in the Heusler alloy Ni{sub 50}Mn{sub 35}In{sub 15} by hydrostatic pressure

    Energy Technology Data Exchange (ETDEWEB)

    Salazar Mejía, C., E-mail: Catalina.Salazar@cpfs.mpg.de; Mydeen, K.; Naumov, P.; Medvedev, S. A.; Wang, C.; Schwarz, U.; Felser, C.; Nicklas, M., E-mail: nicklas@cpfs.mpg.de [Max Planck Institute for Chemical Physics of Solids, Nöthnitzer Str. 40, 01187 Dresden (Germany); Hanfland, M. [ESRF, BP220, 38043 Grenoble (France); Nayak, A. K. [Max Planck Institute for Chemical Physics of Solids, Nöthnitzer Str. 40, 01187 Dresden (Germany); Max Planck Institute of Microstructure Physics, Weinberg 2, 06120 Halle (Germany)

    2016-06-27

    We report on the effect of hydrostatic pressure on the magnetic and structural properties of the shape-memory Heusler alloy Ni{sub 50}Mn{sub 35}In{sub 15}. Magnetization and x-ray diffraction experiments were performed at hydrostatic pressures up to 5 GPa using diamond anvil cells. Pressure stabilizes the martensitic phase, shifting the martensitic transition to higher temperatures, and suppresses the ferromagnetic austenitic phase. Above 3 GPa, where the martensitic-transition temperature approaches the Curie temperature in the austenite, the magnetization shows no longer indications of ferromagnetic ordering. We further find an extended temperature region with a mixture of martensite and austenite phases, which directly relates to the magnetic properties.

  19. Effect of the Heusler phase formation on the magnetic behavior of the Cu–10 wt.%Mn alloy with Al and Ag additions

    Energy Technology Data Exchange (ETDEWEB)

    Carvalho, T.M., E-mail: thaisa.mary@gmail.com [Instituto de Química – UNESP, Caixa Postal 355, 14801-970 Araraquara, SP (Brazil); Adorno, A.T.; Santos, C.M.A. [Instituto de Química – UNESP, Caixa Postal 355, 14801-970 Araraquara, SP (Brazil); Silva, R.A.G. [Departamento de Ciências Exatas e da Terra – UNIFESP, 09972-270 Diadema, SP (Brazil); Magnani, M. [Instituto de Química – UNESP, Caixa Postal 355, 14801-970 Araraquara, SP (Brazil)

    2015-09-15

    Highlights: • The presence of the Cu{sub 2}MnAl phase was observed in annealed alloys. • Al and Ag additions shift the equilibrium concentration to higher Al values. • There is a correlation between the Ag-rich phase and the Cu{sub 2}MnAl phase. - Abstract: In this work, the formation of the Cu{sub 2}AlMn Heusler phase and its influence on the magnetic behavior of the Cu–Mn–Al–Ag alloys in the range of 8–10 wt.% of aluminum and 2–4 wt.% of silver were studied using differential scanning calorimetry (DSC), transmission electron microscopy (TEM), high-resolution TEM (HRTEM) and saturation magnetization measurements at 4 K. The results showed that there is a correlation between the presence of the Ag-rich phase and the formation of the Cu{sub 2}MnAl phase.

  20. The effect of pressure on the structural, electronic, magnetic, and thermodynamic properties of the Mn{sub 2}RuGe inverse Heusler alloy

    Energy Technology Data Exchange (ETDEWEB)

    Song, Ting, E-mail: songting_lzjtu@163.com [State Key Laboratory of Advanced Processing and Recycling of Non-ferrous Metals, Lanzhou University of Technology, Lanzhou 730050 (China); College of Material Science and Engineering, Lanzhou University of Technology, Lanzhou 730050 (China); School of Mathematics and Physics, Lanzhou Jiaotong University, Lanzhou 730070 (China); Sun, Xiao-Wei [School of Mathematics and Physics, Lanzhou Jiaotong University, Lanzhou 730070 (China); Tian, Jun-Hong [School of Mathematics and Physics, Lanzhou Jiaotong University, Lanzhou 730070 (China); Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065 (China); Wei, Xiao-Ping; Wan, Gui-Xin [School of Mathematics and Physics, Lanzhou Jiaotong University, Lanzhou 730070 (China); Ma, Qin, E-mail: maqin_lut@yeah.net [State Key Laboratory of Advanced Processing and Recycling of Non-ferrous Metals, Lanzhou University of Technology, Lanzhou 730050 (China); College of Material Science and Engineering, Lanzhou University of Technology, Lanzhou 730050 (China)

    2017-04-15

    In the frame of density functional theory, first-principles calculations based on generalized gradient approximation and quasi-harmonic Debye approximation model in which the phononic effects are taken into account have been carried out to investigate the structural, electronic, magnetic, and thermodynamic properties of full-Heusler alloy Mn{sub 2}RuGe in CuHg{sub 2}Ti-type structure in the pressure range of 0–50 GPa. Present calculations predict that Mn{sub 2}RuGe is a ferrimagnet with an optimized lattice parameter of 5.854 Å. The calculated total magnetic moment of 2.01 μ{sub B} per formula unit is very close to integer value and agree well with the Slater-Pauling rule, where the partial spin moments of Mn (A) and Mn (B) which mainly contribute to the total magnetic moment are 2.66 μ{sub B} and −0.90 μ{sub B}, respectively. In the study of the energy band structures and density of states, Mn{sub 2}RuGe exhibits half-metallicity with an indirect gap of 0.235 eV in the spin-down channels, and the shifting of bands towards higher energies in spin-down channel under high pressure. Meanwhile, the high-pressure thermodynamic properties of Mn{sub 2}RuGe, such as the pressure-volume-temperature relationship, bulk modulus, thermal expansivity, heat capacity, Debye temperature, and Grüneisen parameter are evaluated systematically in the temperature range of 0–900 K. This set of data is considered as the useful information to understand the high-pressure and high-temperature properties for the Mn{sub 2}RuZ-type Heusler alloy family.

  1. Effect of Fe substitution at the Ni and Mn sites on the magnetic properties of Ni50Mn35In15 Heusler alloys

    International Nuclear Information System (INIS)

    Halder, Madhumita; Suresh, K.G.

    2015-01-01

    The structural and magnetic properties of Ni 48 Fe 2 Mn 35 In 15 and Ni 50 Mn 34 FeIn 15 Heusler alloys have been investigated. At room temperature, Ni 48 Fe 2 Mn 35 In 15 has L2 1 cubic structure, whereas Ni 50 Mn 34 FeIn 15 shows a two-phase structure due to the martensitic transition. In the case of Ni 48 Fe 2 Mn 35 In 15 , there is only one magnetic transition at 316 K with no martensitic transition. However, in Ni 50 Mn 34 FeIn 15 , we observe the martensitic transition at about 280 K. The Curie temperatures for austenite and martensite phases are 314 and 200 K, respectively. The maximum magnetic entropy changes are found to be 5.5 and 4.5 J kg −1 K −1 for Ni 48 Fe 2 Mn 35 In 15 and Ni 50 Mn 34 FeIn 15 , respectively, for 50 kOe. Ni 50 Mn 34 FeIn 15 exhibits exchange bias behavior, with a bias field of 130 Oe at 5 K. Both the alloys satisfy the empirical relation between the martensitic transition and the valence electron concentration (e/a) ratio. - Highlights: • Structural and magnetic properties of Ni 48 Fe 2 Mn 35 In 15 and Ni 50 Mn 34 FeIn 15 Heusler alloys have been investigated. • Ni 48 Fe 2 Mn 35 In 15 does not undergo a martensitic transition, whereas Ni 50 Mn 34 FeIn 15 shows martensitic transition. • Ni 50 Mn 34 FeIn 15 alloy exhibits exchange bias behavior. • Both alloys satisfy the empirical relation between martensitic transition and valence electron concentration (e/a)

  2. Isotopically modified compounds

    International Nuclear Information System (INIS)

    Kuruc, J.

    2009-01-01

    In this chapter the nomenclature of isotopically modified compounds in Slovak language is described. This chapter consists of following parts: (1) Isotopically substituted compounds; (2) Specifically isotopically labelled compounds; (3) Selectively isotopically labelled compounds; (4) Non-selectively isotopically labelled compounds; (5) Isotopically deficient compounds.

  3. Comparing magnetostructural transitions in Ni{sub 50}Mn{sub 18.75}Cu{sub 6.25}Ga{sub 25} and Ni{sub 49.80}Mn{sub 34.66}In{sub 15.54} Heusler alloys

    Energy Technology Data Exchange (ETDEWEB)

    Dubenko, Igor [Department of Physics, Southern Illinois University, Carbondale, IL 62901 (United States); Granovsky, Alexander [Faculty of Physics, Lomonosov Moscow State University, Moscow 119991 (Russian Federation); Lahderanta, Erkki [Lappeenranta University of Technology, 53851 (Finland); Kashirin, Maxim; Makagonov, Vladimir [Voronezh State Technical University, Voronezh 394026 (Russian Federation); Aryal, Anil; Quetz, Abdiel; Pandey, Sudip [Department of Physics, Southern Illinois University, Carbondale, IL 62901 (United States); Rodionov, Igor [Faculty of Physics, Lomonosov Moscow State University, Moscow 119991 (Russian Federation); Samanta, Tapas; Stadler, Shane [Department of Physics & Astronomy, Louisiana State University, Baton Rouge, LA 70803 (United States); Mazumdar, Dipanjan, E-mail: dmazumdar@siu.edu [Department of Physics, Southern Illinois University, Carbondale, IL 62901 (United States); Ali, Naushad [Department of Physics, Southern Illinois University, Carbondale, IL 62901 (United States)

    2016-03-01

    The crystal structure, magnetic and transport properties, including resistivity and thermopower, of Ni{sub 50}Mn{sub 18.75}Cu{sub 6.25}Ga{sub 25} and Ni{sub 49.80}Mn{sub 34.66}In{sub 15.54} Heusler alloys were studied in the (10–400) K temperature interval. We show that their physical properties are remarkably different, thereby pointing to different origin of their magnetostructural transition (MST). A Seebeck coefficient (S) was found to pass minimum of about −20 µV/K in respect of temperature for both compounds. It was shown that MST observed for both compounds results in jump-like changes in S for Ga-based compound and jump in resistivity of about 20 and 200 µΩ cm for Ga and In –based compounds, respectively. The combined analyzes of the present results with that from literature show that the density of states at the Fermi level does not change strongly at the MST in the case of Ni–Mn–In alloys as compared to that of Ni–Mn–Ga. - Graphical abstract: Temperature dependencies of resistivity for Ni{sub 50}Mn{sub 18.75}Cu{sub 6.25}Ga{sub 25} and Ni{sub 49.80}Mn{sub 34.66}In{sub 15.54} obtained on heating (open symbols) and cooling (closed symbols). Arrows indicate the temperature of direct (T{sub M}) and inverse (T{sub A}) martensitic transitions and ferromagnetic ordering of the austenitic (T{sub C}) and martensitic (T{sub CM}) phases. The T{sub CM}=T{sub A}/T{sub M} in the case of Ga-based alloy. - Highlights: • Magnetostructural transitions (MST) in two compounds with same parent material. • The figure exemplifies how sensitive MST properties are to the density of states. • Proper understanding is required for utilizing these multifunctional materials.

  4. Rubber compounding and processing

    CSIR Research Space (South Africa)

    John, MJ

    2014-06-01

    Full Text Available This chapter presents an overview on the compounding and processing techniques of natural rubber compounds. The introductory portion deals with different types of rubbers and principles of rubber compounding. The primary and secondary fillers used...

  5. The defect-induced changes of the electronic and magnetic properties in the inverse Heusler alloy Ti{sub 2}CoAl

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Ying, E-mail: ychenjz@163.com [School of Physical Science and Technology, Southwest University, Chongqing 400715 (China); Wu, Bo [Department of Physics, Zunyi Normal College, Zunyi 563002 (China); Yuan, Hongkuan; Feng, Yu [School of Physical Science and Technology, Southwest University, Chongqing 400715 (China); Chen, Hong, E-mail: chenh@swu.edu.cn [School of Physical Science and Technology, Southwest University, Chongqing 400715 (China)

    2015-01-15

    The first-principles calculations are performed to investigate the effect of swap, antisite and vacancy defects of three classes on the electronic and magnetic properties in the inverse Heusler alloy Ti{sub 2}CoAl of half-metallicity. Our calculations reveal that Ti(A/B)–Co and Co–Al swaps, Ti(A/B) and Al vacancy defects as well as Co{sub Ti(A)/Al} and Al{sub Ti(A)/Ti(B)} antisite defects are likely to form in a concentration as high as 12.5%. Among them, Co{sub Ti(A)} antisite is detected to be the most probable defect. It is shown that the spin polarizations of Ti{sub 2}CoAl are considerably reduced by the Ti(A/B)–Co swap and Ti(B)/Al vacancy defects, while a quite high spin polarization around 95% is observed in Co–Al swap as well as Ti(A) vacancy. Remarkably, all the likely antisite defects almost retain the half-metallic character in a concentration of 12.5% even if they have the possibility to form. However, induced by antisites, the Fermi levels shift to the edge of band gap with small peaks arising just above the Fermi level, which may destroy the half-metallicity by spin-flip excitation. - Graphical abstract: The spin polarization and formation energy of various possible defects in inverse Heusler alloy Ti{sub 2}CoAl. The triangle, star and square represent the swap, antisite and vacancy defects, respectively. - Highlights: • The swap, antisite, and vacancy defects are studied in half-metallic Ti{sub 2}CoAl. • The Co{sub Ti(A)} antisite is the most probable among the studied defects. • The antisite defects almost retain the half-metallicity. • Most of swap and vacancy defects have degraded the half-metallicity. • High spin polarizations are detected in Co–Al swap and Ti(A) vacancy defects.

  6. The effect of Pd on martensitic transformation and magnetic properties for Ni50Mn38−xPdxSn12Heusler alloys

    Directory of Open Access Journals (Sweden)

    C. Jing

    2016-05-01

    Full Text Available In the past decade, Mn rich Ni-Mn based alloys have attained considerable attention due to their abundant physics and potential application as multifunctional materials. In this paper, polycrystalline Ni50Mn38−xPdxSn12 (x = 0, 2, 4, 6 Heusler alloys have been prepared, and the martensitic phase transformation (MPT together with the shape memory effect and the magnetocaloric effect has been investigated. The experimental result indicates that the MPT evidently shifts to a lower temperature with increase of Pd substitution for Mn atoms, which can be attributed to the weakness of the hybridization between the Ni atom and excess Mn on the Sn site rather than the electron concentration. The physics properties study focused on the sample of Ni50Mn34Pd4Sn12 shows a good two-way shape memory behavior, and the maximum value of strain Δ L/L reaches about 0.13% during the MPT. The small of both entropy change Δ ST and magnetostrain can be ascribed to the inconspicuous influence of magnetic field induced MPT.

  7. Thermal and magnetic hysteresis associated with martensitic and magnetic phase transformations in Ni52Mn25In16Co7 Heusler alloy

    Science.gov (United States)

    Madiligama, A. S. B.; Ari-Gur, P.; Ren, Y.; Koledov, V. V.; Dilmieva, E. T.; Kamantsev, A. P.; Mashirov, A. V.; Shavrov, V. G.; Gonzalez-Legarreta, L.; Grande, B. H.

    2017-11-01

    Ni-Mn-In-Co Heusler alloys demonstrate promising magnetocaloric performance for use as refrigerants in magnetic cooling systems with the goal of replacing the lower efficiency, eco-adverse fluid-compression technology. The largest change in entropy occurs when the applied magnetic field causes a merged structural and magnetic transformation and the associated entropy changes of the two transformations works constructively. In this study, magnetic and crystalline phase transformations were each treated separately and the effects of the application of magnetic field on thermal hystereses associated with both structural and magnetic transformations of the Ni52Mn25In16Co7 were studied. From the analysis of synchrotron diffraction data and thermomagnetic measurements, it was revealed that the alloy undergoes both structural (from cubic austenite to a mixture of 7M &5M modulated martensite) and magnetic (ferromagnetic to a low-magnetization phase) phase transformations. Thermal hysteresis is associated with both transformations, and the variation of the thermal hystereses of the magnetic and structural transformations with applied magnetic field is significantly different. Because of the differences between the hystereses loops of the two transformations, they merge only upon heating under a certain magnetic field.

  8. Synthesize and microstructure characterization of Ni{sub 43}Mn{sub 41}Co{sub 5}Sn{sub 11} Heusler alloy

    Energy Technology Data Exchange (ETDEWEB)

    Elwindari, Nastiti; Manaf, Azwar, E-mail: azwar@ui.ac.id [Physics Department, Faculty of Science, Universitas Indonesia, Depok 16424 (Indonesia)

    2016-06-17

    The ferromagnetic heusler alloys are promising materials in many technical applications due to their multifunctional properties such as shape memory effect, magnetocaloric effect, giant magnetoresistance, etc. In this work, synthesize and characterization of polycrystalline Ni{sub 43}Mn{sub 41}Co{sub 5}Sn{sub 11} (NMCS) alloy are reported. Alloy preparation was conducted by melting the constitute elements under an innert Argon (Ar) atmosphere in a vacuum mini arc-melting furnace. Homogenization of the microstructure of the as-cast ingot was obtained after annealing process at 750°C for 48 hours. It is shown that the dendrites structure has changed to equaixed grains morphology after homogenization. Microstructure characteristics of material by x-ray diffraction revealed that the alloy has a L{sub 21}-type cubic crystal structure as the main phase at room temperature. In order to induce the shape anisotropy, a forging treatment was applied to show the shape orientation of material. Various enhancements of magnetic properties in a longitudinal direction were observed at various degree of anisotropy. The microstructure changes of as-cast NMCS and effects of homogenization treatments as studied by scanning electron microscopy (SEM) and energy dispersive spectrometry (EDS) are discussed in details.

  9. Thermomagnetic and magnetocaloric properties of metamagnetic Ni-Mn-In-Co Heusler alloy in magnetic fields up to 140 kOe

    Directory of Open Access Journals (Sweden)

    Kamantsev Alexander

    2014-07-01

    Full Text Available High cooling power of magnetocaloric refrigeration can be achieved only at large amounts of heat, which can be transferred in one cycle from cold end hot end at quasi-isothermal conditions. The simple and robust experimental method of direct measuring of the transferred heat of materials with magnetocaloric effect (MCE in thermal contact with massive copper block with definite heat capacity in quasi-isothermal regime was proposed. The vacuum calorimeter for the specific transferred heat ΔQ and adiabatic temperature change ΔT measurements of MCE materials in the fields of Bitter coil magnet up to H = 140 kOe was designed and tested on samples of Ni43Mn37.9In12.1Co7 Heusler alloy with inverse MCE in the vicinity of meta-magnetostructural phase transition (PT. It was found, that the magnetic field H = 80 kOe produces complete PT from martensite to austenite with ΔQ = - 1600 J/kg at initial temperature 273 K.

  10. Microstructure and magnetism of Co2FeAl Heusler alloy prepared by arc and induction melting compared with planar flow casting

    Science.gov (United States)

    Titov, A.; Jiraskova, Y.; Zivotsky, O.; Bursik, J.; Janickovic, D.

    2018-04-01

    This paper is devoted to investigations of the structural and magnetic properties of the Co2FeAl Heusler alloy produced by three technologies. The alloys prepared by arc and induction melting have resulted in coarse-grained samples in contrast to the fine-grained ribbon-type sample prepared by planar flow casting. Scanning electron microscopy completed by energy dispersive X-ray spectroscopy, X-ray diffraction, Mössbauer spectroscopy, and magnetic methods sensitive to both bulk and surface were applied. The chemical composition was slightly different from the nominal only for the ribbon sample. From the viewpoint of magnetic properties, the bulk coercivity and remnant magnetization have followed the structure influenced by the technology used. Saturation magnetization was practically the same for samples prepared by arc and induction melting, whereas the magnetization of ribbon is slightly lower due to a higher Al content at the expense of iron and cobalt. The surface magnetic properties were markedly influenced by anisotropy, grain size, and surface roughness of the samples. The surface roughness and brittleness of the ribbon-type sample did not make domain structure observation possible. The other two samples could be well polished and their highly smooth surface has enabled domain structure visualization by both magneto-optical Kerr microscopy and magnetic force microscopy.

  11. Impact of Nb vacancies and p-type doping of the NbCoSn-NbCoSb half-Heusler thermoelectrics.

    Science.gov (United States)

    Ferluccio, Daniella A; Smith, Ronald I; Buckman, Jim; Bos, Jan-Willem G

    2018-02-07

    The half-Heuslers NbCoSn and NbCoSb have promising thermoelectric properties. Here, an investigation of the NbCo 1+y Sn 1-z Sb z (y = 0, 0.05; 0 ≤ z ≤ 1) solid-solution is presented. In addition, the p-type doping of NbCoSn using Ti and Zr substitution is investigated. Rietveld analysis reveals the gradual creation of Nb vacancies to compensate for the n-type doping caused by the substitution of Sb in NbCoSn. This leads to a similar valence electron count (∼18.25) for the NbCo 1+y Sn 1-z Sb z samples (z > 0). Mass fluctuation disorder due to the Nb vacancies strongly decreases the lattice thermal conductivity from 10 W m -1 K -1 (z = 0) to 4.5 W m -1 K -1 (z = 0.5, 1). This is accompanied by a transition to degenerate semiconducting behaviour leading to large power factors, S 2 /ρ = 2.5-3 mW m -1 K -2 and figures of merit, ZT = 0.25-0.33 at 773 K. Ti and Zr can be used to achieve positive Seebeck values, e.g. S = +150 μV K -1 for 20% Zr at 773 K. However, the electrical resistivity, ρ 323K = 27-35 mΩ cm, remains too large for these materials to be considered useful p-type materials.

  12. Manipulating magnetic anisotropy of the ultrathin Co{sub 2}FeAl full-Heusler alloy film via growth orientation of the Pt buffer layer

    Energy Technology Data Exchange (ETDEWEB)

    Wen, F.S., E-mail: wenfsh03@126.com [State Key Lab of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004 (China); Xiang, J.Y.; Hao, C.X.; Zhang, F.; Lv, Y.F. [State Key Lab of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004 (China); Wang, W.H. [Institute of Physics, Chinese Academy of Science, Beijing 100080 (China); Hu, W.T.; Liu, Z.Y. [State Key Lab of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004 (China)

    2013-12-15

    The ultrathin films of Co{sub 2}FeAl (CFA) full-Heusler alloy were prepared between two Pt layers on MgO single crystals by magnetron sputtering. By controlling the substrate temperature, different growth orientations of the Pt underlayers were realized, and their effects were investigated on the magnetic anisotropy of the ultrathin CFA film. It was revealed that different Pt orientations lead to distinctly different magnetic anisotropy for the sandwiched ultrathin CFA films. The Pt (111) orientation favors the perpendicular anisotropy, while the appearance of partial Pt (001) orientation leads to the quick decrease of perpendicular anisotropy and the complete Pt (001) orientation gives rise to the in-plane anisotropy. With the Pt (111) orientation, the temperature and thickness-induced spin reorientation transitions were investigated in the sandwiched ultrathin CFA films. - Highlights: • Different Pt orientations lead to different magnetic anisotropy for sandwiched ultrathin CFA films. • The Pt (111) orientation favors the perpendicular anisotropy for CFA layer. • Temperature and thickness-induced spin reorientation transitions were investigated in sandwiched ultrathin CFA films. • 0.8 nm CFA film is good candidate as electrode in magnetic tunnel junctions.

  13. Manipulating magnetic anisotropy of the ultrathin Co2FeAl full-Heusler alloy film via growth orientation of the Pt buffer layer

    International Nuclear Information System (INIS)

    Wen, F.S.; Xiang, J.Y.; Hao, C.X.; Zhang, F.; Lv, Y.F.; Wang, W.H.; Hu, W.T.; Liu, Z.Y.

    2013-01-01

    The ultrathin films of Co 2 FeAl (CFA) full-Heusler alloy were prepared between two Pt layers on MgO single crystals by magnetron sputtering. By controlling the substrate temperature, different growth orientations of the Pt underlayers were realized, and their effects were investigated on the magnetic anisotropy of the ultrathin CFA film. It was revealed that different Pt orientations lead to distinctly different magnetic anisotropy for the sandwiched ultrathin CFA films. The Pt (111) orientation favors the perpendicular anisotropy, while the appearance of partial Pt (001) orientation leads to the quick decrease of perpendicular anisotropy and the complete Pt (001) orientation gives rise to the in-plane anisotropy. With the Pt (111) orientation, the temperature and thickness-induced spin reorientation transitions were investigated in the sandwiched ultrathin CFA films. - Highlights: • Different Pt orientations lead to different magnetic anisotropy for sandwiched ultrathin CFA films. • The Pt (111) orientation favors the perpendicular anisotropy for CFA layer. • Temperature and thickness-induced spin reorientation transitions were investigated in sandwiched ultrathin CFA films. • 0.8 nm CFA film is good candidate as electrode in magnetic tunnel junctions

  14. First-principles study on the thermodynamic stability, magnetism, and half-metallicity of full-Heusler alloy Ti{sub 2}FeGe (001) surface

    Energy Technology Data Exchange (ETDEWEB)

    Hu, Yan; Zhang, Jian-Min, E-mail: jmzhang@snnu.edu.cn

    2017-05-10

    For the Ti{sub 2}FeGe Heusler alloy, the surface stability, electronic and magnetic properties of the various (001) surfaces have been studied by using first-principles calculations. The TiGe termination is the most stable one while the GeGe* termination is the most unstable one. Both the density of states (DOS) and atomic magnetic moments (AMMs) of the central layers are similar to the corresponding bulk characters due to no influence of surface effect as we expected. The TiGe termination has the highest spin polarization 96.67%, followed by the TiFe (67.17%), GeGe* (66.51%) and FeFe* terminations (62.02%). The TiTi* terminations has the lowest spin polarization 61.31%. The magnetic moments for atoms on the surfaces and subsurfaces of these terminations are different from the bulk case. - Highlights: • TiGe termination is the most stable while GeGe* termination is the most unstable. • TiGe termination has the highest spin polarization followed by TiFe, GeGe*, FeFe* and TiTi*. • Atomic magnetic moments at the (001) surfaces are greatly different from the bulk values.

  15. Room temperature inverse magnetocaloric effect in Pd substituted Ni{sub 50}Mn{sub 37}Sn{sub 13} Heusler alloys

    Energy Technology Data Exchange (ETDEWEB)

    Saha, Ritwik, E-mail: ritwik.saha@tifr.res.in; Nigam, A.K.

    2014-09-01

    The structural, magnetic and magnetocaloric effects for Ni{sub 50−x}Pd{sub x}Mn{sub 37}Sn{sub 13} Heusler alloys have been investigated around both structural and magnetic transitions. The room temperature X-ray diffraction indicates 10 M modulated martensitic structure with an orthorhombic unit cell for x=0 and 1. However, the superstructure reflections for x=2 alloy imply that the pattern is related to the L2{sub 1} phase. The maximum entropy change occurring at the martensitic transition is found to be 21 J kg{sup −1} K{sup −1} for Ni{sub 50}Mn{sub 37}Sn{sub 13} alloy around room temperature. Despite the smaller change in entropy around room temperature, 3.8 times larger value of refrigerant capacity (184.6 J/kg) is achieved for 2% substitution of Pd, due to occurrence of magnetic entropy change in a broader temperature region.

  16. Ab initio studies of Co{sub 2}FeAl{sub 1−x}Si{sub x} Heusler alloys

    Energy Technology Data Exchange (ETDEWEB)

    Szwacki, N. Gonzalez, E-mail: gonz@fuw.edu.pl; Majewski, Jacek A., E-mail: jam@fuw.edu.pl

    2016-07-01

    We present results of extensive theoretical studies of Co{sub 2}FeAl{sub 1−x}Si{sub x} Heusler alloys, which have been performed in the framework of density functional theory employing the all-electron full-potential linearized augmented plane-wave scheme. It is shown that the Si-rich alloys are more resistive to structural disorder and as a consequence Si stabilizes the L2{sub 1} structure. Si alloying changes position of the Fermi level, pushing it into the gap of the minority spin-band. It is also shown that the hyperfine field on Co nuclei increases with the Si concentration, and this increase originates mostly from the changes in the electronic density of the valence electrons. - Highlights: • GGA+U calculations: μ and E{sub g} dependence on the value of U for Co{sub 2}FeAl and Co{sub 2}FeSi. • Behavior of magnetic hyperfine fields on the Co site of Co{sub 2}FeAl{sub 1−x}Si{sub x} versus x. • DFT proof of suppression of formation of antisites defects with x in Co{sub 2}FeAl{sub 1−x}Si{sub x}.

  17. Sanskrit Compound Processor

    Science.gov (United States)

    Kumar, Anil; Mittal, Vipul; Kulkarni, Amba

    Sanskrit is very rich in compound formation. Typically a compound does not code the relation between its components explicitly. To understand the meaning of a compound, it is necessary to identify its components, discover the relations between them and finally generate a paraphrase of the compound. In this paper, we discuss the automatic segmentation and type identification of a compound using simple statistics that results from the manually annotated data.

  18. Electron transport in all-Heusler Co2CrSi/Cu2CrAl/Co2CrSi device, based on ab-initio NEGF calculations

    Science.gov (United States)

    Mikaeilzadeh, L.; Pirgholi, M.; Tavana, A.

    2018-05-01

    Based on the ab-initio non-equilibrium Green's function (NEGF) formalism based on the density functional theory (DFT), we have studied the electron transport in the all-Heusler device Co2CrSi/Cu2CrAl/Co2CrSi. Results show that the calculated transmission spectra is very sensitive to the structural parameters and the interface. Also, we obtain a range for the thickness of the spacer layer for which the MR effect is optimum. Calculations also show a perfect GMR effect in this device.

  19. Structure and magnetic properties of Co{sub 2}(Cr{sub 1−x}Fe{sub x})Al, (0 ≤ x ≤ 1) Heusler alloys prepared by mechanical alloying

    Energy Technology Data Exchange (ETDEWEB)

    Srivastava, Yogesh, E-mail: 123209001_yogesh@manit.ac.in [Department of Materials Science & Metallurgical Engineering, Ceramic & Powder Metallurgy Laboratory, Maulana Azad National Institute of Technology, Bhopal, Madhya Pradesh 462003 (India); Vajpai, Sanjay Kumar, E-mail: vajpaisk@gmail.com [Department of Materials Science & Metallurgical Engineering, Maulana Azad National Institute of Technology, Bhopal, Madhya Pradesh 462003 (India); Srivastava, Sanjay, E-mail: s.srivastava.msme@gmail.com [Department of Materials Science & Metallurgical Engineering, Maulana Azad National Institute of Technology, Bhopal, Madhya Pradesh 462003 (India)

    2017-07-01

    Highlights: • A series of nanocrystalline Co{sub 2}(Cr{sub 1−x}Fe{sub x})Al Heusler alloy by powder metallurgy. • Effect of substitution of Fe for Cr on the microstructure and magnetic properties. • Increasing amounts of B2 type disordered structure with increasing Fe content. • Enhanced Ms, Mr, Hc, and Tc with increasing Fe content. • Relative magnetic anisotropy decreased with increasing Fe content. - Abstract: In the present study, a series of nanocrystalline Co{sub 2}(Cr{sub 1−x}Fe{sub x})Al Heusler alloy powders were successfully prepared by high energy ball milling and the effect of substitution of Fe for Cr on the microstructure and magnetic properties was investigated in detail. The Co{sub 2}CrAl alloy powder consisted of only A2 type disordered structure whereas the substitution of Cr by Fe led to the appearance of increasing amounts of B2 type disordered structure along with A2 type structure. All the Co{sub 2}(Cr{sub 1−x}Fe{sub x})Al Heusler alloy powders demonstrated high spontaneous magnetization together with a very small hysteresis losses. The saturation magnetization, remanence, coercivity, and Curie temperature increased with increasing Fe content. The increasing magnetization with increasing Fe content was attributed to the replacement of antiferromagnetic Cr by strongly ferromagnetic Fe and an increasing amounts of relatively more ordered, atomically as well as ferromagnetically, B2 structure as compared to that of A2 phase. The increment in remanence and coercivity with increasing Fe content were associated with the variation in microstructural characteristics, such as grain size, lattice defects, and the presence of small amounts of magnetic/nonmagnetic secondary phases. The increment in Curie temperature with increasing Fe content was attributed to the enhancement of d-d exchange interaction due to the possible occupancy of vacant sites by Fe atoms. All the Heusler alloys indicated extremely low magnetic anisotropy and the

  20. Effect of an interface Mg insertion layer on the reliability of a magnetic tunnel junction based on a Co{sub 2}FeAl full-Heusler alloy

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Jungmin; Kil, Gyuhyun; Lee, Gaehun; Choi, Chulmin; Song, Yunheub [Hanyang University, Seoul (Korea, Republic of); Sukegawa, Hiroaki; Mitani, Seiji [National Institute for Materials Science, Ibaraki (Japan)

    2014-04-15

    The reliability of a magnetic tunnel junction (MTJ) based on a Co{sub 2}FeAl (CFA) full-Heusler alloy with a MgO tunnel barrier was evaluated. In particular, the effect of a Mg insertion layer under the MgO was investigated in view of resistance drift by using various voltage stress tests. We compared the resistance change during constant voltage stress (CVS) and confirmed a trap/detrap phenomenon during the interval stress test for samples with and without a Mg insertion layer. The MTJ with a Mg insertion layer showed a relatively small resistance change for the CVS test and a reduced trap/detrap phenomenon for the interval stress test compared to the sample without a Mg insertion layer. This is understood to be caused by the improved crystallinity at the bottom of the CFA/MgO interface due to the Mg insertion layer, which provides a smaller number of trap site during the stress test. As a result, the interface condition of the MgO layer is very important for the reliability of a MTJ using a full-Heusler alloy, and the the insert of a Mg layer at the MgO interface is expected to be an effective method for enhancing the reliability of a MTJ.

  1. Tuning Fermi level of Cr{sub 2}CoZ (Z=Al and Si) inverse Heusler alloys via Fe-doping for maximum spin polarization

    Energy Technology Data Exchange (ETDEWEB)

    Singh, Mukhtiyar [Department of Physics, Kurukshetra University, Kurukshetra-136119, Haryana (India); Saini, Hardev S. [Department of Physics, Panjab University, Chandigarh-160014 (India); Thakur, Jyoti [Department of Physics, Kurukshetra University, Kurukshetra-136119, Haryana (India); Reshak, Ali H. [New Technologies—Research Center, University of West Bohemia, Univerzitni 8, 306 14 Pilsen (Czech Republic); Center of Excellence Geopolymer and Green Technology, School of Material Engineering, University Malaysia Perlis, 01007 Kangar, Perlis (Malaysia); Kashyap, Manish K., E-mail: manishdft@gmail.com [Department of Physics, Kurukshetra University, Kurukshetra-136119, Haryana (India)

    2014-12-15

    We report full potential treatment of electronic and magnetic properties of Cr{sub 2−x}Fe{sub x}CoZ (Z=Al, Si) Heusler alloys where x=0.0, 0.25, 0.5, 0.75 and 1.0, based on density functional theory (DFT). Both parent alloys (Cr{sub 2}CoAl and Cr{sub 2}CoSi) are not half-metallic frromagnets. The gradual replacement of one Cr sublattice with Fe induces the half-metallicity in these systems, resulting maximum spin polarization. The half-metallicity starts to appear in Cr{sub 2−x}Fe{sub x}CoAl and Cr{sub 2−x}Fe{sub x}CoSi with x=0.50 and x=0.25, respectively, and the values of minority-spin gap and half-metallic gap or spin-flip gap increase with further increase of x. These gaps are found to be maximum for x=1.0 for both cases. An excellent agreement between the structural properties of CoFeCrAl with available experimental study is obtained. The Fermi level tuning by Fe-doping makes these alloys highly spin polarized and thus these can be used as promising candidates for spin valves and magnetic tunnelling junction applications. - Highlights: • Tuning of E{sub F} in Cr{sub 2}CoZ (Z=Al, Si) has been demonstrated via Fe doping. • Effect of Fe doping on half-metallicity and magnetism have been discussed. • The new alloys have a potential of being used as spin polarized electrodes.

  2. Evolution of phase transformation and magnetic properties with Fe content in Ni55-x Fe x Mn20Ga25 Heusler alloys

    Science.gov (United States)

    Zhang, Yuanlei; Li, Zhe; He, Xijia; Huang, Yinsheng; Xu, Kun; Jing, Chao

    2018-02-01

    A series of Ni55-x Fe x Mn20Ga25 (0  ⩽  x  ⩽  5) Heusler alloys was prepared to investigate their phase transitions and magnetic properties. At room temperature, these alloys present various crystal structures, and the unit cell volume enlarges with increase of Fe content in both austenite and martensite. Multiple magneto-structural transformations were observed in the parent alloy (x  =  0). In the process of cooling, it undergoes martensitic transformation (MT) from L21-type paramagnetic austenite to L10-type ferromagnetic martensite, accompanying an intermartensitic transformation (IMT, 7M  →  L10). By establishing a detailed phase diagram, we found that both MT and IMT shift to lower temperature simultaneously, while the ferromagnetic (FM) transition of austenite moves to higher temperature as Fe increases. With the further increase of Fe content beyond a critical value, both the IMT and the FM transitions split off from MT, and the former follows with the transforming sequence of 7M  →  5M. Based on the experimental data, some key magnetic parameters have been obtained in this system. The calculated magnetocrystalline anisotropy constant ({{K}1} ) of martensite quickly increases as Fe increases, and then it almost reaches a saturated value (~5.5  ×  105 J m-3) for the alloys with x  >  3. However, the spontaneous magnetic moment ({μs} ) attains a peak value of about 4.2 μ B/f.u. in the alloy with x  =  4, which is not consistent with the linear increasing of effective magnetic moment ({μef f} ). Further magnetic measurements with hydrostatic pressure indicate that such a discrepancy could be ascribed to the competition between the magnetic exchange interaction and the volume change of unit cell governed by the dopant Fe content.

  3. An ab initio study on the structural, electronic and mechanical properties of quaternary full-Heusler alloys FeMnCrSn and FeMnCrSb

    Science.gov (United States)

    Erkişi, Aytaç

    2018-06-01

    The quaternary full Heusler alloys FeMnCrSn and FeMnCrSb, which have face-centred cubic (FCC) crystal structure and conform to ? space group with 216 space number, have been investigated using Generalised Gradient Approximation (GGA) in the Density Functional Theory (DFT) as implemented in VASP (Vienna Ab initio Simulation Package) software. These alloys are considered in ferromagnetic (FM) order. After the investigation of structural stability of these alloys, their mechanical and thermal properties and also electronic band structures have been examined. The calculated spin-polarised electronic band structures and total electronic density of states (DOS) within GGA approximation show that these alloys can exhibit both metallic and half-metallic characters in different structural phases. The calculated formation enthalpies and the plotted energy-volume graphs show that Type-III phase is most stable structural phase for these materials. Also, FeMnCrSb alloy in Type-I/Type-III phases and FeMnCrSn alloy in Type-III phase show half-metallic behaviour with integer total magnetic moments almost 2 and 1 μB per formula unit, respectively, since there are band gaps observed in spin-down states, whereas they have metallic behaviour in majority bands. Other structural phases of both systems are also metallic. Moreover, the calculated elastic constants and the estimated anisotropy shear factors indicate that these materials are stable mechanically in all of three phases except FeMnCrSn in Type-I phase that does not satisfy Born stability criteria in this phase and have high anisotropic behaviour.

  4. Energy or compost from green waste? - A CO2 - Based assessment

    International Nuclear Information System (INIS)

    Kranert, Martin; Gottschall, Ralf; Bruns, Christian; Hafner, Gerold

    2010-01-01

    Green waste is increasingly extracted from the material recycling chain and, as a result of the financial subsidy arising from the German renewable energy law for the generation of energy from renewable raw materials; it is fed into the energy recovery process in biomass power stations. A reduction in climate relevant gases is also linked to the material recovery of green waste - in particular when using composts gained from the process as a new raw material in different types of potting compost and plant culture media as a replacement for peat. Unlike energy recovery, material valorisation is not currently subsidised. Through the analysis of material and energy valorisation methods for green waste, with particular emphasis on primary resource consumption and CO 2 -balance, it could be determined that the use of green waste for energy generation and its recovery for material and peat replacement purposes can be considered to be on a par. Based on energy recovery or material oriented scenarios, it can be further deduced that no method on its own will achieve the desired outcome and that a combination of recycling processes is more likely to lead to a significant decrease of greenhouse gas emissions.

  5. CO2-based amphiphilic polycarbonate micelles enable a reliable and efficient platform for tumor imaging

    OpenAIRE

    Li, Yuanyuan; Liu, Shunjie; Zhao, Xun; Wang, Ying; Liu, Jianhua; Wang, Xianhong; Lu, Lehui

    2017-01-01

    Biodegradable polymeric nanomaterials can be directly broken down by intracellular processes, offering a desirable way to solve toxicity issues for cancer diagnosis and treatment. Among them, aliphatic polycarbonates are approved for application in biological fields by the United States Food and Drug Administration (FDA), however, high hydrophobicity, deficient functionality and improper degradation offer significant room for improvement in these materials. Methods: To achieve progress in thi...

  6. CO2-based hydrogen storage - Hydrogen generation from formaldehyde/water

    Science.gov (United States)

    Trincado, Monica; Grützmacher, Hansjörg; Prechtl, Martin H. G.

    2018-04-01

    Formaldehyde (CH2O) is the simplest and most significant industrially produced aldehyde. The global demand is about 30 megatons annually. Industrially it is produced by oxidation of methanol under energy intensive conditions. More recently, new fields of application for the use of formaldehyde and its derivatives as, i.e. cross-linker for resins or disinfectant, have been suggested. Dialkoxymethane has been envisioned as a combustion fuel for conventional engines or aqueous formaldehyde and paraformaldehyde may act as a liquid organic hydrogen carrier molecule (LOHC) for hydrogen generation to be used for hydrogen fuel cells. For the realization of these processes, it requires less energy-intensive technologies for the synthesis of formaldehyde. This overview summarizes the recent developments in low-temperature reductive synthesis of formaldehyde and its derivatives and low-temperature formaldehyde reforming. These aspects are important for the future demands on modern societies' energy management, in the form of a methanol and hydrogen economy, and the required formaldehyde feedstock for the manufacture of many formaldehyde-based daily products.

  7. [Open-path online monitoring of ambient atmospheric CO2 based on laser absorption spectrum].

    Science.gov (United States)

    He, Ying; Zhang, Yu-Jun; Kan, Rui-Feng; Xia, Hui; Geng, Hui; Ruan, Jun; Wang, Min; Cui, Xiao-Juan; Liu, Wen-Qing

    2009-01-01

    With the conjunction of tunable diode laser absorption spectroscopy technology (TDLAS) and the open long optical path technology, the system designing scheme of CO2 on-line monitoring based on near infrared tunable diode laser absorption spectroscopy technology was discussed in detail, and the instrument for large-range measurement was set up. By choosing the infrared absorption line of CO2 at 1.57 microm whose line strength is strong and suitable for measurement, the ambient atmospheric CO2 was measured continuously with a 30 s temporal resolution at an suburb site in the autumn of 2007. The diurnal atmospheric variations of CO2 and continuous monitoring results were presented. The results show that the variation in CO2 concentration has an obvious diurnal periodicity in suburb where the air is free of interference and contamination. The general characteristic of diurnal variation is that the concentration is low in the daytime and high at night, so it matches the photosynthesis trend. The instrument can detect gas concentration online with high resolution, high sensitivity, high precision, short response time and many other advantages, the monitoring requires no gas sampling, the calibration is easy, and the detection limit is about 4.2 x 10(-7). It has been proved that the system and measurement project are feasible, so it is an effective method for gas flux continuous online monitoring of large range in ecosystem based on TDLAS technology.

  8. Photoacoustic detection of CO2 based on LABVIEW at 10.303 μm.

    Science.gov (United States)

    Zhao, Junjuan; Zhao, Zhan; Du, Lidong; Geng, Daoqu; Wu, Shaohua

    2011-04-01

    A detailed study on a photoacoustic carbon dioxide detection system, through sound card based on virtual instrument, is presented in this paper. In this system, the CO(2) concentration was measured with the non-resonant photoacoustic cell technique through measuring the photoacoustic signal caused by the CO(2). In order to obtain small photoacoustic signals buried in noise, a measurement software was designed with LABVIEW. It has functions of Lock-in Amplifier, digital filter, and signal generator; can also be used to achieve spectrum analysis and signal recovery; has been provided with powerful function for data processing and communication with other measuring instrument. The test results show that the entire system has an outstanding measuring performance with the sensitivity of 10 μv between 10-44 KHz. The non-resonance test of the trace gas analyte CO(2) conducted at 100 Hz demonstrated large signals (15.89 mV) for CO(2) concentrations at 600 ppm and high signal-to-noise values (∼85:1). © 2011 American Institute of Physics

  9. Techno-economic evaluation of different CO2-based processes for dimethyl carbonate production

    DEFF Research Database (Denmark)

    Kongpanna, Pichayapan; Pavarajarn, Varong; Gani, Rafiqul

    2015-01-01

    carbonate route is found to give the best performance in terms of energy consumption (11.4% improvement), net CO2 emission (13.4% improvement), in global warming potential (58.6% improvement) and in human toxicity-carcinogenic (99.9% improvement) compared to the BAYER process. Also, the ethylene carbonate...

  10. Experimental Study of Matrix Permeability of Gas Shale: An Application to CO2-Based Shale Fracturing

    Directory of Open Access Journals (Sweden)

    Chengpeng Zhang

    2018-03-01

    Full Text Available Because the limitations of water-based fracturing fluids restrict their fracturing efficiency and scope of application, liquid CO2 is regarded as a promising substitute, owing to its unique characteristics, including its greater environmental friendliness, shorter clean-up time, greater adsorption capacity than CH4 and less formation damage. Conversely, the disadvantage of high leak-off rate of CO2 fracturing due to its very low viscosity determines its applicability in gas shales with ultra-low permeability, accurate measurement of shale permeability to CO2 is therefore crucial to evaluate the appropriate injection rate and total consumption of CO2. The main purpose of this study is to accurately measure shale permeability to CO2 flow during hydraulic fracturing, and to compare the leak-off of CO2 and water fracturing. A series of permeability tests was conducted on cylindrical shale samples 38 mm in diameter and 19 mm long using water, CO2 in different phases and N2 considering multiple influencing factors. According to the experimental results, the apparent permeability of shale matrix to gaseous CO2 or N2 is greatly over-estimated compared with intrinsic permeability or that of liquid CO2 due to the Klinkenberg effect. This phenomenon explains that the permeability values measured under steady-state conditions are much higher than those under transient conditions. Supercritical CO2 with higher molecular kinetic energy has slightly higher permeability than liquid CO2. The leak-off rate of CO2 is an order of magnitude higher than that of water under the same injection conditions due to its lower viscosity. The significant decrease of shale permeability to gas after water flooding is due to the water block effect, and much longer clean-up time and deep water imbibition depth greatly impede the gas transport from the shale matrix to the created fractures. Therefore, it is necessary to substitute water-based fracturing fluids with liquid or super-critical CO2 in clay-abundant shale formations.

  11. Stable isotopes labelled compounds

    International Nuclear Information System (INIS)

    1982-09-01

    The catalogue on stable isotopes labelled compounds offers deuterium, nitrogen-15, and multiply labelled compounds. It includes: (1) conditions of sale and delivery, (2) the application of stable isotopes, (3) technical information, (4) product specifications, and (5) the complete delivery programme

  12. Growth, electrical, structural, and magnetic properties of half-Heusler CoT i1 -xF exSb

    Science.gov (United States)

    Harrington, S. D.; Rice, A. D.; Brown-Heft, T. L.; Bonef, B.; Sharan, A.; McFadden, A. P.; Logan, J. A.; Pendharkar, M.; Feldman, M. M.; Mercan, O.; Petukhov, A. G.; Janotti, A.; Colakerol Arslan, L.; Palmstrøm, C. J.

    2018-01-01

    Epitaxial thin films of the substitutionally alloyed half-Heusler series CoT i1 -xF exSb were grown by molecular beam epitaxy on InAlAs/InP(001) substrates for concentrations 0.0 ≤x ≤1.0 . The influence of Fe on the structural, electronic, and magnetic properties was studied and compared to that expected from density functional theory. The films are epitaxial and single crystalline, as measured by reflection high-energy electron diffraction and x-ray diffraction. Using in situ x-ray photoelectron spectroscopy, only small changes in the valence band are detected for x ≤0.5 . For films with x ≥0.05 , ferromagnetism is observed in SQUID magnetometry with a saturation magnetization that scales linearly with Fe content. A dramatic decrease in the magnetic moment per formula unit occurs when the Fe is substitutionally alloyed on the Co site indicating a strong dependence on the magnetic moment with site occupancy. A crossover from both in-plane and out-of-plane magnetic moments to only in-plane moment occurs for higher concentrations of Fe. Ferromagnetic resonance indicates a transition from weak to strong interaction with a reduction in inhomogeneous broadening as Fe content is increased. Temperature-dependent transport reveals a semiconductor to metal transition with thermally activated behavior for x ≤0.5 . Anomalous Hall effect and large negative magnetoresistance (up to -18.5% at 100 kOe for x =0.3 ) are observed for higher Fe content films. Evidence of superparamagnetism for x =0.3 and 0.2 suggests, for moderate levels of Fe, that demixing of the CoT i1 -xF exSb films into Fe-rich and Fe-deficient regions may be present. Atom probe tomography is used to examine the Fe distribution in an x =0.3 film. Statistical analysis reveals a nonhomogeneous distribution of Fe atoms throughout the film, which is used to explain the observed magnetic and electrical behavior.

  13. Large magnetoresistance in Heusler-alloy-based epitaxial magnetic junctions with semiconducting Cu(In{sub 0.8}Ga{sub 0.2})Se{sub 2} spacer

    Energy Technology Data Exchange (ETDEWEB)

    Kasai, S. [Research Center for Magnetic and Spintronic Materials, National Institute for Materials Science (NIMS), 1-2-1 Sengen, Tsukuba 305-0047 (Japan); Center for Emergent Matter Science, RIKEN, 2-1 Hirosawa, Wako 351-0198 (Japan); Takahashi, Y. K.; Ohkubo, T. [Research Center for Magnetic and Spintronic Materials, National Institute for Materials Science (NIMS), 1-2-1 Sengen, Tsukuba 305-0047 (Japan); Cheng, P.-H.; Ikhtiar,; Mitani, S.; Hono, K. [Research Center for Magnetic and Spintronic Materials, National Institute for Materials Science (NIMS), 1-2-1 Sengen, Tsukuba 305-0047 (Japan); Graduate School of Pure and Applied Sciences, University of Tsukuba, 1-1-1 Tennodai, Tsukuba 305-8577 (Japan); Kondou, K. [Center for Emergent Matter Science, RIKEN, 2-1 Hirosawa, Wako 351-0198 (Japan); Otani, Y. [Center for Emergent Matter Science, RIKEN, 2-1 Hirosawa, Wako 351-0198 (Japan); Institute for Solid State Physics, University of Tokyo, 5-1-5 Kashiwanoha, Kashiwa 277-8581 (Japan)

    2016-07-18

    We investigated the structure and magneto-transport properties of magnetic junctions using a Co{sub 2}Fe(Ga{sub 0.5}Ge{sub 0.5}) Heusler alloy as ferromagnetic electrodes and a Cu(In{sub 0.8}Ga{sub 0.2})Se{sub 2} (CIGS) semiconductor as spacers. Owing to the semiconducting nature of the CIGS spacer, large magnetoresistance (MR) ratios of 40% at room temperature and 100% at 8 K were obtained for low resistance-area product (RA) values between 0.3 and 3 Ω μm{sup 2}. Transmission electron microscopy observations confirmed the fully epitaxial growth of the chalcopyrite CIGS layer, and the temperature dependence of RA indicated that the large MR was due to spin dependent tunneling.

  14. Preparation and characterization of highly L21-ordered full-Heusler alloy Co2FeAl0.5Si0.5 thin films for spintronics device applications

    International Nuclear Information System (INIS)

    Wang Wenhong; Sukegawa, Hiroaki; Shan Rong; Furubayashi, Takao; Inomata, Koichiro

    2008-01-01

    We report the investigation of structure and magnetic properties of full-Heusler alloy Co 2 FeAl 0.5 Si 0.5 (CFAS) thin films grown on MgO-buffered MgO (001) substrates through magnetron sputtering. It was found that single-crystal CFAS thin films with high degree of L2 1 ordering and sufficiently flat surface could be obtained after postdeposition annealing. All the films show a distinct uniaxial magnetic anisotropy with the easy axis of magnetization along the in-plane [110] direction. These results indicate that the use of the MgO buffer for CFAS is a promising approach for achieving a higher tunnel magnetoresistance ratio, and thus for spintronics device applications

  15. Compounding around the world.

    Science.gov (United States)

    Vail, Jane

    2008-01-01

    Pharmaceutical compounding is universal in its prevalence. Variations in disease patterns, culture, and tradition; the role of government in health care; and the availability of essential equipment and required agents shape a compounding profile unique to each country worldwide. In the following reflections, pharmacists form Argentina, Belgium, Colombia, Germany, Puerto Rico, Spain, and the United States describe their experiences in the compounding setting unique to their practice and their nation. The unifying theme in their comments is the dedication of each contributor to enabling recovery and ensuring the good health of his or her clients.

  16. Search for half-metallic magnets with large half-metallic gaps in the quaternary Heusler alloys CoFeTiZ and CoFeVZ (Z=Al, Ga, Si, Ge, As, Sb)

    International Nuclear Information System (INIS)

    Xiong, Lun; Yi, Lin; Gao, G.Y.

    2014-01-01

    We investigate the electronic structure and magnetic properties of the twelve quaternary Heusler alloys CoFeTiZ and CoFeVZ (Z=Al, Ga, Si, Ge, As, Sb) by using the first-principles calculations. It is shown that only CoFeTiSi, CoFeTiAs and CoFeVSb are half-metallic ferromagnets with considerable half-metallic gaps of 0.31, 0.18 and 0.17 eV, respectively. CoFeTiAl and CoFeTiGa are conventional semiconductors, and other alloys exhibit nearly half-metallicity or their half-metallic gaps are almost zero eV. We also find that the half-metallicities of CoFeTiSi, CoFeTiAs and CoFeVSb can be preserved under appropriate uniform and in-plane strains. The considerable half-metallic gaps and the robust half-metallicities under uniform and in-plane strains make CoFeTiSi, CoFeTiAs and CoFeVSb promising candidates for spintronic applications. - Highlights: • CoFeTiSi, CoFeTiAs and CoFeVSb have considerable half-metallic gaps. • Total magnetic moments obey the Slater–Pauling behavior of quaternary Heusler half-metals. • CoFeTiSi, CoFeTiAs and CoFeVSb retain half-metallicity under uniform and in-plane strains

  17. Effects of Rh on the thermoelectric performance of the p-type Zr0.5Hf0.5Co1-xRhxSb0.99Sn0.01 half-Heusler alloys

    International Nuclear Information System (INIS)

    Maji, Pramathesh; Takas, Nathan J.; Misra, Dinesh K.; Gabrisch, Heike; Stokes, Kevin; Poudeu, Pierre F.P.

    2010-01-01

    We show that Rh substitution at the Co site in Zr 0.5 Hf 0.5 Co 1-x Rh x Sb 0.99 Sn 0.01 (0≤x≤1) half-Heusler alloys strongly reduces the thermal conductivity with a simultaneous, significant improvement of the power factor of the materials. Thermoelectric properties of hot-pressed pellets of several compositions with various Rh concentrations were investigated in the temperature range from 300 to 775 K. The Rh 'free' composition shows n-type conduction, while Rh substitution at the Co site drives the system to p-type semiconducting behavior. The lattice thermal conductivity of Zr 0.5 Hf 0.5 Co 1-x Rh x Sb 0.99 Sn 0.01 alloys rapidly decreased with increasing Rh concentration and lattice thermal conductivity as low as 3.7 W/m*K was obtained at 300 K for Zr 0.5 Hf 0.5 RhSb 0.99 Sn 0.01 . The drastic reduction of the lattice thermal conductivity is attributed to mass fluctuation induced by the Rh substitution at the Co site, as well as enhanced phonon scattering at grain boundaries due to the small grain size of the synthesized materials. - Graphical abstract: Significant reduction of the lattice thermal conductivity with increasing Rh concentration in the p-type Zr 0.5 Hf 0.5 Co 1-x Rh x Sb 0.99 Sn 0.01 half-Heusler materials prepared by solid state reaction at 1173 K.

  18. Effect of NiAl underlayer and spacer on magnetoresistance of current-perpendicular-to-plane spin valves using Co2Mn(Ga0.5Sn0.5) Heusler alloy

    International Nuclear Information System (INIS)

    Hase, N.; Nakatani, T.M.; Kasai, S.; Takahashi, Y.K.; Furubayashi, T.; Hono, K.

    2012-01-01

    We investigated the effect of a NiAl underlayer and spacer on magnetoresistive (MR) properties in current-perpendicular-to-plane spin valves (CPP-SVs) using Co 2 Mn(Ga 0.5 Sn 0.5 ) (CMGS) Heusler alloy ferromagnetic layers. The usage of a NiAl underlayer allowed a high temperature annealing for the L2 1 ordering of the bottom CMGS layer, giving rise to a MR ratio of 10.2% at room temperature. We found that the usage of a NiAl spacer layer also improved the tolerance of the multilayer structure against thermal delamination, which allowed annealing to induce the L2 1 structure in both the bottom and top CMGS layers. However, the short spin diffusion length of NiAl resulted in a lower MR ratio compared to that obtained using a Ag spacer. Transmission electron microscopy of the multilayer structure of CPP-SVs showed that the atomically flat layered structure was maintained after the annealing. - Highlights: → CPP spin valves using Co 2 Mn(Ga 0.5 Sn 0.5 ) ferromagnetic layers with a new underlayer material. → NiAl underlayer and spacer improve the thermal tolerance of the spin valve structure. → NiAl underlayer improves MR ratio compared to Ag because of higher annealing temperature. → NiAl spacer degrades MR ratios compared to Ag because of short spin diffusion length. → Potential of heat resistant underlayer and spacer layer for CPP-SV using Heusler alloy.

  19. Martensitic transformation and magnetic properties of manganese-rich Ni-Mn-In and Ni-Mn-Sn Heusler alloys; Untersuchung der martensitischen Umwandlung und der magnetischen Eigenschaften Mangan-reicher Ni-Mn-In- und Ni-Mn-Sn-Heusler-Legierungen

    Energy Technology Data Exchange (ETDEWEB)

    Krenke, T.

    2007-06-29

    In the present work, the martensitic transition and the magnetic properties of Manganese rich Ni{sub 50}Mn{sub 50-x}Sn{sub x} and Ni{sub 50}Mn{sub 50-y}In{sub y} alloys with 5 at%{<=}x(y){<=}25 at% were investigated. Calorimetry, X-ray and neutron diffraction, magnetization, and strain measurements were performed on polycrystalline samples. It was shown that alloys close to the stoichiometric composition Ni{sub 50}Mn{sub 25}Sn{sub 25} and Ni{sub 50}Mn{sub 25}Sn{sub 25} do not exhibit a structural transition on lowering of the temperature, whereas alloys with x{<=}15 at% Tin and y{<=}16 at% Indium transform martensitically. The structural transition temperatures increase linearly with decreasing Tin or Indium content. The crystal structures of the low temperature martensite are modulated as well as unmodulated. Alloys with compositions close to stoichiometry are dominated by ferromagnetic interactions, whereas those close to the binary composition Ni{sub 50}Mn{sub 50} order antiferromagnetically. Ferromagnetic order and structural instability coexist in a narrow composition range between 13 at%{<=}x{<=}15 at% and 15 at%{<=}x{<=}16 at% for Ni{sub 50}Mn{sub 50-x}Sn{sub x} and Ni{sub 50}Mn{sub 50-y}In{sub y} respectively. As a consequence, interesting magnetoelastic effects are observed. The Ni{sub 50}Mn{sub 34}In{sub 16} alloy shows a magnetic field-induced structural transition, whereby application of an external magnetic field in the martensitic state stabilizes the high temperature L2{sub 1} structure. Evidence for this was given by neutron diffraction experiments in external magnetic fields. Moreover, the structural transition temperatures of this alloy show large magnetic field dependencies. By use of calorimetry, M(T), and strain measurements, changes in M{sub s} up to -11 K/Tesla are observed. Such large values have, until now, not been observed in Heusler alloys. Since during transformation the volume changes reversibly, magnetic field-induced strains of about

  20. Compound Semiconductor Radiation Detectors

    CERN Document Server

    Owens, Alan

    2012-01-01

    Although elemental semiconductors such as silicon and germanium are standard for energy dispersive spectroscopy in the laboratory, their use for an increasing range of applications is becoming marginalized by their physical limitations, namely the need for ancillary cooling, their modest stopping powers, and radiation intolerance. Compound semiconductors, on the other hand, encompass such a wide range of physical and electronic properties that they have become viable competitors in a number of applications. Compound Semiconductor Radiation Detectors is a consolidated source of information on all aspects of the use of compound semiconductors for radiation detection and measurement. Serious Competitors to Germanium and Silicon Radiation Detectors Wide-gap compound semiconductors offer the ability to operate in a range of hostile thermal and radiation environments while still maintaining sub-keV spectral resolution at X-ray wavelengths. Narrow-gap materials offer the potential of exceeding the spectral resolutio...

  1. Hexavalent Chromium Compounds

    Science.gov (United States)

    Learn about chromium, exposure to which can increase your risk of lung cancer and cancer of the paranasal sinuses and nasal cavity. Hexavalent chromium compounds have been used as corrosion inhibitors in a wide variety of products and processes.

  2. MEA 86 Compound data

    Data.gov (United States)

    U.S. Environmental Protection Agency — This data file contains the full raw parameter data for the 86 compounds tested in the developmental MEA assay, as well as Area Under the Curve (AUC) calculations...

  3. Unlock your Compound Management

    OpenAIRE

    Steffen Eller

    2016-01-01

    Pharmaceutical industry faces the increased demand for innovative medicines against various diseases. In this regard, the compound library in pharmaceutical industry is the most valuable asset. However, the compound distribution from the library into the screening plates is often still done manually and binds highly qualified resources to very time-consuming, tedious and error-prone tasks. To overcome these challenges, Chemspeed launched the first automated true one-to-one gravimetric "pi...

  4. Phenolic Molding Compounds

    Science.gov (United States)

    Koizumi, Koji; Charles, Ted; de Keyser, Hendrik

    Phenolic Molding Compounds continue to exhibit well balanced properties such as heat resistance, chemical resistance, dimensional stability, and creep resistance. They are widely applied in electrical, appliance, small engine, commutator, and automotive applications. As the focus of the automotive industry is weight reduction for greater fuel efficiency, phenolic molding compounds become appealing alternatives to metals. Current market volumes and trends, formulation components and its impact on properties, and a review of common manufacturing methods are presented. Molding processes as well as unique advanced techniques such as high temperature molding, live sprue, and injection/compression technique provide additional benefits in improving the performance characterisitics of phenolic molding compounds. Of special interest are descriptions of some of the latest innovations in automotive components, such as the phenolic intake manifold and valve block for dual clutch transmissions. The chapter also characterizes the most recent developments in new materials, including long glass phenolic molding compounds and carbon fiber reinforced phenolic molding compounds exhibiting a 10-20-fold increase in Charpy impact strength when compared to short fiber filled materials. The role of fatigue testing and fatigue fracture behavior presents some insight into long-term reliability and durability of glass-filled phenolic molding compounds. A section on new technology outlines the important factors to consider in modeling phenolic parts by finite element analysis and flow simulation.

  5. Fluorine-18 labelled compounds

    International Nuclear Information System (INIS)

    Kleijn, J.P. de

    1978-01-01

    The work presented in this thesis deals with the problems involved in the adaption of reactor-produced fluorine-18 to the synthesis of 18 F-labelled organic fluorine compounds. Several 18 F-labelling reagents were prepared and successfully applied. The limitations to the synthetic possibilities of reactor-produced fluoride- 18 become manifest in the last part of the thesis. An application to the synthesis of labelled aliphatic fluoro amino acids has appeared to be unsuccessful as yet, although some other synthetic approaches can be indicated. Seven journal articles (for which see the availability note) are used to compose the four chapters and three appendices. The connecting text gives a survey of known 18 F-compounds and methods for preparing such compounds. (Auth.)

  6. Chloric organic compound

    International Nuclear Information System (INIS)

    Moalem, F.

    2000-01-01

    Since many years ago, hazardous and toxic refuses which are results of human activities has been carelessly without any Biological and Engineering facts and knowledge discharged into our land and water. The effects of discharging those materials in environment are different. Some of refuse materials shows short and other has long-time adverse effects in our environment, Among hazardous organic chemical materials, chlorine, consider, to be the main element. Organic materials with chlorine is called chlorine hydrocarbon as a hazardous compound. This paper discuss the hazardous materials especially chloric organic compound and their misuse effects in environment and human being

  7. Medicinal gold compounds

    International Nuclear Information System (INIS)

    Parish, R.V.; Cottrill, S.M.

    1987-01-01

    A major use of gold compounds in the pharmaceutical industry is for anti-arthritic agents. The disease itself is not understood and little is known about the way in which the drugs act, but detailed pictures of the distribution of gold in the body are available, and some of the relevant biochemistry is beginning to emerge. The purpose of this article is to give a survey of the types of compounds presently employed in medicine, of the distribution of gold in the body which results from their use, and of some relevant chemistry. Emphasis is placed on results obtained in the last few years

  8. Compound semiconductor device physics

    CERN Document Server

    Tiwari, Sandip

    2013-01-01

    This book provides one of the most rigorous treatments of compound semiconductor device physics yet published. A complete understanding of modern devices requires a working knowledge of low-dimensional physics, the use of statistical methods, and the use of one-, two-, and three-dimensional analytical and numerical analysis techniques. With its systematic and detailed**discussion of these topics, this book is ideal for both the researcher and the student. Although the emphasis of this text is on compound semiconductor devices, many of the principles discussed will also be useful to those inter

  9. Prediction of intermetallic compounds

    International Nuclear Information System (INIS)

    Burkhanov, Gennady S; Kiselyova, N N

    2009-01-01

    The problems of predicting not yet synthesized intermetallic compounds are discussed. It is noted that the use of classical physicochemical analysis in the study of multicomponent metallic systems is faced with the complexity of presenting multidimensional phase diagrams. One way of predicting new intermetallics with specified properties is the use of modern processing technology with application of teaching of image recognition by the computer. The algorithms used most often in these methods are briefly considered and the efficiency of their use for predicting new compounds is demonstrated.

  10. Compound floating pivot micromechanisms

    Science.gov (United States)

    Garcia, Ernest J.

    2001-04-24

    A new class of tilting micromechanical mechanisms have been developed. These new mechanisms use compound floating pivot structures to attain far greater tilt angles than are practical using other micromechanical techniques. The new mechanisms are also capable of bi-directional tilt about multiple axes.

  11. The Onium Compounds

    Science.gov (United States)

    Tsarevsky, Nicolay V.; Slaveykova, Vera; Manev, Stefan; Lazarov, Dobri

    1997-06-01

    The onium salts are of a big interest for theoretical and structural chemistry, and for organic synthesis. Some representatives of the group (e.g. ammonium salts) were known from the oldest times. Many onium salts are met the nature: ammonium salts (either as inorganic salts, and organic derivatives, e.g. aminoacids, salts of biogenic amines and alkaloids, etc.); oxonium salts (plant pigments as anthocyans are organic oxonium compounds), etc. In 1894 C. Hartmann and V. Meyer prepared the first iodonium salts - 4-iododiphenyliodonium hydrogensulfate and diphenyliodonium salts, and suggested the ending -onium for all compounds with properties similar to those of ammonium salts. Nowadays onium compounds of almost all nonmetals are synthesised and studied. A great variety of physical methods: diffraction (e.g. XRD) and spectral methods (IR-, NMR-, and UV-spectra), as well as the chemical properties and methods of preparation of onium salts have been used in determination of the structure of these compounds. The application of different onium salts is immense. Ammonium, phosphonium and sulfonium salts are used as phase-transfer catalysts; diazonium salts - for the preparation of dyes, metalochromic and pH-indicators. All the onium salts and especially diazonium and iodonium salts are very useful reagents in organic synthesis.

  12. Forecasting of superconducting compounds

    International Nuclear Information System (INIS)

    Savitskii, E.M.; Gribulya, V.G.; Kiseleva, N.N.

    1981-01-01

    In forecasting new superconducting intermetallic compounds of the A15 and Mo 3 Se types most promising from the viewpoint of high critical temperature Tsub(c), high critical magnetic fields Hsub(c), and high critical currents and in estimating their transition temperature it is proposed to apply cybernetic methods of computer learning

  13. NATURAL POLYACETYLENE COMPOUNDS

    Directory of Open Access Journals (Sweden)

    A. M. Nasukhova

    2014-01-01

    Full Text Available In article the review of the initial stage of researches of natural polyacetylene compounds is resulted. The high reactionary ability leading to fast oxidation and degradation of these compounds, especially at influence of Uf-light, oxygen of air, pH and other factors, has caused the serious difficulties connected with an establishment of structure and studying of their physical and chemical properties. Therefore the greatest quantity of works of this stage is connected with studying of essential oils of plants from families Apiaceae, Araliaceae, Asteraceae, Campanulaceae, Olacaceae, Pittosporaceae and Santalaceae where have been found out, basically, diacetylene compounds. About development of physical and chemical methods of the analysis of possibility of similar researches have considerably extended. More than 2000 polyacetylenes are known today, from them more than 1100 are found out in plants fam. Asteraceae. Revolution in the field of molecular biology has allowed to study processes of biosynthesis of these compounds intensively.

  14. Aminopropyl thiophene compounds

    International Nuclear Information System (INIS)

    Goodman, M.M.; Knapp, F.F.

    1990-01-01

    This patent describes radiopharmaceuticals useful in brain imaging comprising radiohalogenated thienylethylamine derivatives. The compounds are 5-halo-thiophene-2-isopropyl amines able to cross the blood-brain barrier and be retained for a sufficient length of time to allow the evaluation of regional blood flow by radioimaging of the brain

  15. Aminopropyl thiophene compounds

    Science.gov (United States)

    Goodman, Mark M.; Knapp, Jr., Furn F.

    1990-01-01

    Radiopharmaceuticals useful in brain imaging comprising radiohalogenated thienylethylamine derivatives. The compounds are 5-halo-thiophene-2-isopropyl amines able to cross the blood-brain barrier and be retained for a sufficient length of time to allow the evaluation of regional blood flow by radioimaging of the brain.

  16. Hyperon compound nucleus

    International Nuclear Information System (INIS)

    Yamazaki, Toshimitsu.

    1987-11-01

    The formation of various hypernuclei from K - absorption at rest is discussed from the viewpoints of compound decay of highly excited hypernuclei in contrast to the direct reaction mechanism. Recent (stopped K - , π) experiments at KEK as well as old data of emulsion and bubble chamber experiments are discussed. Some future direction of hypernuclear spectroscopy is suggested. (author)

  17. Toxicology of perfluorinated compounds

    Energy Technology Data Exchange (ETDEWEB)

    Stahl, Thorsten [Hessian State Laboratory, Wiesbaden (Germany); Mattern, Daniela; Brunn, Hubertus [Hessian State Laboratory, Giessen (Germany)

    2011-12-15

    Perfluorinated compounds [PFCs] have found a wide use in industrial products and processes and in a vast array of consumer products. PFCs are molecules made up of carbon chains to which fluorine atoms are bound. Due to the strength of the carbon/fluorine bond, the molecules are chemically very stable and are highly resistant to biological degradation; therefore, they belong to a class of compounds that tend to persist in the environment. These compounds can bioaccumulate and also undergo biomagnification. Within the class of PFC chemicals, perfluorooctanoic acid and perfluorosulphonic acid are generally considered reference substances. Meanwhile, PFCs can be detected almost ubiquitously, e.g., in water, plants, different kinds of foodstuffs, in animals such as fish, birds, in mammals, as well as in human breast milk and blood. PFCs are proposed as a new class of 'persistent organic pollutants'. Numerous publications allude to the negative effects of PFCs on human health. The following review describes both external and internal exposures to PFCs, the toxicokinetics (uptake, distribution, metabolism, excretion), and the toxicodynamics (acute toxicity, subacute and subchronic toxicities, chronic toxicity including carcinogenesis, genotoxicity and epigenetic effects, reproductive and developmental toxicities, neurotoxicity, effects on the endocrine system, immunotoxicity and potential modes of action, combinational effects, and epidemiological studies on perfluorinated compounds). (orig.)

  18. Chemical compounds in teak

    Directory of Open Access Journals (Sweden)

    Fernanda Viana da Silva Leonardo

    2015-09-01

    Full Text Available Quinone compounds are largely generated at extractive fraction of the woods in a complex and variable biological system. The literature has indications for many segments from food industry to pharmaceutical industry. Within the field of industrial use of wood, they are less desirable since they are treated only as incidental substances in production strings of pulp, paper, charcoal, and sawmill. In spite of its small amount, compared to other chemical compounds called essential, these substances have received special attention from researchers revealing a diverse range of offerings to market products textiles, pharmaceuticals, colorants, and other polymers, for which are being tested and employed. Quinones are found in fungi, lichens, and mostly in higher plants. Tectona grandis, usually called teak, is able to biosynthesize anthraquinones, which is a quinone compound, byproduct of secondary metabolism. This species provides wood that is much prized in the furniture sector and can also be exploited for metabolites to supply the market in quinone compounds and commercial development of new technologies, adding value to the plantations of this species within our country.

  19. Selenium-75-labelled foliate compounds

    International Nuclear Information System (INIS)

    1974-01-01

    A saturation method to analyze a foliate is presented; it uses competitive reaction of the compound to be measured and of a radioactive-labelled version of this compound with a reagent specific to this compound present in insufficient quantity to combine with the whole of the compound and its labelled version, separation of the bound compound from its non-bound homologue and measurement of the radioactivity concentration in the bound compound, the non-bound compound or both. The radioactive isotope used in the labelled foliate is selenium 75 [fr

  20. Compound semiconductor device modelling

    CERN Document Server

    Miles, Robert

    1993-01-01

    Compound semiconductor devices form the foundation of solid-state microwave and optoelectronic technologies used in many modern communication systems. In common with their low frequency counterparts, these devices are often represented using equivalent circuit models, but it is often necessary to resort to physical models in order to gain insight into the detailed operation of compound semiconductor devices. Many of the earliest physical models were indeed developed to understand the 'unusual' phenomena which occur at high frequencies. Such was the case with the Gunn and IMPATI diodes, which led to an increased interest in using numerical simulation methods. Contemporary devices often have feature sizes so small that they no longer operate within the familiar traditional framework, and hot electron or even quantum­ mechanical models are required. The need for accurate and efficient models suitable for computer aided design has increased with the demand for a wider range of integrated devices for operation at...

  1. Tripolar Mesoionic Compounds

    OpenAIRE

    Shuki, Araki; Jiro, Mizuya; Naomitsu, Aoyama; Yasuo, Butsugan

    1995-01-01

    Tripolar mesoionic compounds have been synthesized by the reaction of (1,3-diphenyltetrazol-5-ylio)cyclopentadienide (or -indenide) with the dicationic ether salts derived from mesoionic olates and trifluoromethanesulfonic anhydride. The structures of the newly prepared mesoionic systems are discussed on the basis of spectroscopic analysis; it is shown that the tripolar [tetrazolium-cyclopentadienide (or indenide)-tetrazolium] canonical structure contributes significantly to the ground state ...

  2. Oligosilanylated Antimony Compounds

    OpenAIRE

    Zitz, Rainer; Gatterer, Karl; Reinhold, Crispin R. W.; M?ller, Thomas; Baumgartner, Judith; Marschner, Christoph

    2015-01-01

    By reactions of magnesium oligosilanides with SbCl3, a number of oligosilanylated antimony compounds were obtained. When oligosilanyl dianions were used, either the expected cyclic disilylated halostibine was obtained or alternatively the formation of a distibine was observed. Deliberate formation of the distibine from the disilylated halostibine was achieved by reductive coupling with C8K. Computational studies of Sb?Sb bond energies, barriers of pyramidal inversion at Sb, and the conformati...

  3. Labelled compounds. (Pt. B)

    International Nuclear Information System (INIS)

    Buncel, E.; Jones, J.R.

    1991-01-01

    Since the end of World War II there has been a tremendous increase in the number of compounds that have been synthesized with radioactive or stable isotopes. They have found application in many diverse fields, so much so, that hardly a single area in pure and applied science has not benefited. Not surprisingly it has been reflected in appearance of related publications. The early proceedings of the Symposia on Advances in Trace Methodology were soon followed by various Euratom sponsored meetings in which methods of preparing and storing labelled compounds featured prominently. In due course a resurgence of interest in stable isotopes, brought about by their greater availability (also lower cost) and partly by development of new techniques such as gas chromatography - mass spectrometry (gc-ms), led to the publication of proceedings of several successful conferences. More recently conferences dealing with the synthesis and applications of isotopes and isotopically labelled compounds have been established on a regular basis. In addition to the proceedings of conferences and journal publications individuals left their mark by producing definitive texts, usually on specific nuclides. Only the classic two volume publication of Murray and Williams (Organic syntheses with isotopes, New York 1985), now over 30 years old and out of print, attempted to do justice to several nuclides. With the large amount of work that has been undertaken since then it seems unlikely that an updated edition could be produced. The alternative strategy was to ask scientists currently active to review specific areas and this is the approach adopted in the present series of monographs. In this way it is intended to cover the broad advances that have been made in the synthesis and applications of isotopes and isotopically labelled compounds in the physical and biomedical sciences. (author). refs.; figs.; tabs

  4. Process for compound transformation

    KAUST Repository

    Basset, Jean-Marie

    2016-12-29

    Embodiments of the present disclosure provide for methods of using a catalytic system to chemically transform a compound (e.g., a hydrocarbon). In an embodiment, the method does not employ grafting the catalyst prior to catalysis. In particular, embodiments of the present disclosure provide for a process of hydrocarbon (e.g., C1 to C20 hydrocarbon) metathesis (e.g., alkane, olefin, or alkyne metathesis) transformation, where the process can be conducted without employing grafting prior to catalysis.

  5. Compound Semiconductor Radiation Detector

    International Nuclear Information System (INIS)

    Kim, Y. K.; Park, S. H.; Lee, W. G.; Ha, J. H.

    2005-01-01

    In 1945, Van Heerden measured α, β and γ radiations with the cooled AgCl crystal. It was the first radiation measurement using the compound semiconductor detector. Since then the compound semiconductor has been extensively studied as radiation detector. Generally the radiation detector can be divided into the gas detector, the scintillator and the semiconductor detector. The semiconductor detector has good points comparing to other radiation detectors. Since the density of the semiconductor detector is higher than that of the gas detector, the semiconductor detector can be made with the compact size to measure the high energy radiation. In the scintillator, the radiation is measured with the two-step process. That is, the radiation is converted into the photons, which are changed into electrons by a photo-detector, inside the scintillator. However in the semiconductor radiation detector, the radiation is measured only with the one-step process. The electron-hole pairs are generated from the radiation interaction inside the semiconductor detector, and these electrons and charged ions are directly collected to get the signal. The energy resolution of the semiconductor detector is generally better than that of the scintillator. At present, the commonly used semiconductors as the radiation detector are Si and Ge. However, these semiconductor detectors have weak points. That is, one needs thick material to measure the high energy radiation because of the relatively low atomic number of the composite material. In Ge case, the dark current of the detector is large at room temperature because of the small band-gap energy. Recently the compound semiconductor detectors have been extensively studied to overcome these problems. In this paper, we will briefly summarize the recent research topics about the compound semiconductor detector. We will introduce the research activities of our group, too

  6. Bronzes and relative compounds

    International Nuclear Information System (INIS)

    Uehlls, A.

    1987-01-01

    Preparation and the crystal structure of bronzes based on complex oxides of transition (Ti, V, Nb, Ta, Mo, W, Re, Ru and etc.) and alkali metals, as well as oxides of some other elements (Sr, In, La and etc.) are described. Peculiarities of formation of the structure of tetragonal, tungsten, molybdenum, vanadium bronzes and their analogs depending on the chemical composition of these compounds are considered

  7. Compound Wiretap Channels

    Directory of Open Access Journals (Sweden)

    Shlomo Shamai (Shitz

    2009-01-01

    Full Text Available This paper considers the compound wiretap channel, which generalizes Wyner's wiretap model to allow the channels to the (legitimate receiver and to the eavesdropper to take a number of possible states. No matter which states occur, the transmitter guarantees that the receiver decodes its message and that the eavesdropper is kept in full ignorance about the message. The compound wiretap channel can also be viewed as a multicast channel with multiple eavesdroppers, in which the transmitter sends information to all receivers and keeps the information secret from all eavesdroppers. For the discrete memoryless channel, lower and upper bounds on the secrecy capacity are derived. The secrecy capacity is established for the degraded channel and the semideterministic channel with one receiver. The parallel Gaussian channel is further studied. The secrecy capacity and the secrecy degree of freedom (s.d.o.f. are derived for the degraded case with one receiver. Schemes to achieve the s.d.o.f. for the case with two receivers and two eavesdroppers are constructed to demonstrate the necessity of a prefix channel in encoder design. Finally, the multi-antenna (i.e., MIMO compound wiretap channel is studied. The secrecy capacity is established for the degraded case and an achievable s.d.o.f. is given for the general case.

  8. Antifungal compounds from cyanobacteria.

    Science.gov (United States)

    Shishido, Tânia K; Humisto, Anu; Jokela, Jouni; Liu, Liwei; Wahlsten, Matti; Tamrakar, Anisha; Fewer, David P; Permi, Perttu; Andreote, Ana P D; Fiore, Marli F; Sivonen, Kaarina

    2015-04-13

    Cyanobacteria are photosynthetic prokaryotes found in a range of environments. They are infamous for the production of toxins, as well as bioactive compounds, which exhibit anticancer, antimicrobial and protease inhibition activities. Cyanobacteria produce a broad range of antifungals belonging to structural classes, such as peptides, polyketides and alkaloids. Here, we tested cyanobacteria from a wide variety of environments for antifungal activity. The potent antifungal macrolide scytophycin was detected in Anabaena sp. HAN21/1, Anabaena cf. cylindrica PH133, Nostoc sp. HAN11/1 and Scytonema sp. HAN3/2. To our knowledge, this is the first description of Anabaena strains that produce scytophycins. We detected antifungal glycolipopeptide hassallidin production in Anabaena spp. BIR JV1 and HAN7/1 and in Nostoc spp. 6sf Calc and CENA 219. These strains were isolated from brackish and freshwater samples collected in Brazil, the Czech Republic and Finland. In addition, three cyanobacterial strains, Fischerella sp. CENA 298, Scytonema hofmanni PCC 7110 and Nostoc sp. N107.3, produced unidentified antifungal compounds that warrant further characterization. Interestingly, all of the strains shown to produce antifungal compounds in this study belong to Nostocales or Stigonematales cyanobacterial orders.

  9. Toxic compounds in honey.

    Science.gov (United States)

    Islam, Md Nazmul; Khalil, Md Ibrahim; Islam, Md Asiful; Gan, Siew Hua

    2014-07-01

    There is a wealth of information about the nutritional and medicinal properties of honey. However, honey may contain compounds that may lead to toxicity. A compound not naturally present in honey, named 5-hydroxymethylfurfural (HMF), may be formed during the heating or preservation processes of honey. HMF has gained much interest, as it is commonly detected in honey samples, especially samples that have been stored for a long time. HMF is a compound that may be mutagenic, carcinogenic and cytotoxic. It has also been reported that honey can be contaminated with heavy metals such as lead, arsenic, mercury and cadmium. Honey produced from the nectar of Rhododendron ponticum contains alkaloids that can be poisonous to humans, while honey collected from Andromeda flowers contains grayanotoxins, which can cause paralysis of limbs in humans and eventually leads to death. In addition, Melicope ternata and Coriaria arborea from New Zealand produce toxic honey that can be fatal. There are reports that honey is not safe to be consumed when it is collected from Datura plants (from Mexico and Hungary), belladonna flowers and Hyoscamus niger plants (from Hungary), Serjania lethalis (from Brazil), Gelsemium sempervirens (from the American Southwest), Kalmia latifolia, Tripetalia paniculata and Ledum palustre. Although the symptoms of poisoning due to honey consumption may differ depending on the source of toxins, most common symptoms generally include dizziness, nausea, vomiting, convulsions, headache, palpitations or even death. It has been suggested that honey should not be considered a completely safe food. Copyright © 2013 John Wiley & Sons, Ltd.

  10. Antifungal Compounds from Cyanobacteria

    Directory of Open Access Journals (Sweden)

    Tânia K. Shishido

    2015-04-01

    Full Text Available Cyanobacteria are photosynthetic prokaryotes found in a range of environments. They are infamous for the production of toxins, as well as bioactive compounds, which exhibit anticancer, antimicrobial and protease inhibition activities. Cyanobacteria produce a broad range of antifungals belonging to structural classes, such as peptides, polyketides and alkaloids. Here, we tested cyanobacteria from a wide variety of environments for antifungal activity. The potent antifungal macrolide scytophycin was detected in Anabaena sp. HAN21/1, Anabaena cf. cylindrica PH133, Nostoc sp. HAN11/1 and Scytonema sp. HAN3/2. To our knowledge, this is the first description of Anabaena strains that produce scytophycins. We detected antifungal glycolipopeptide hassallidin production in Anabaena spp. BIR JV1 and HAN7/1 and in Nostoc spp. 6sf Calc and CENA 219. These strains were isolated from brackish and freshwater samples collected in Brazil, the Czech Republic and Finland. In addition, three cyanobacterial strains, Fischerella sp. CENA 298, Scytonema hofmanni PCC 7110 and Nostoc sp. N107.3, produced unidentified antifungal compounds that warrant further characterization. Interestingly, all of the strains shown to produce antifungal compounds in this study belong to Nostocales or Stigonematales cyanobacterial orders.

  11. Compound Wiretap Channels

    Directory of Open Access Journals (Sweden)

    Kramer Gerhard

    2009-01-01

    Full Text Available Abstract This paper considers the compound wiretap channel, which generalizes Wyner's wiretap model to allow the channels to the (legitimate receiver and to the eavesdropper to take a number of possible states. No matter which states occur, the transmitter guarantees that the receiver decodes its message and that the eavesdropper is kept in full ignorance about the message. The compound wiretap channel can also be viewed as a multicast channel with multiple eavesdroppers, in which the transmitter sends information to all receivers and keeps the information secret from all eavesdroppers. For the discrete memoryless channel, lower and upper bounds on the secrecy capacity are derived. The secrecy capacity is established for the degraded channel and the semideterministic channel with one receiver. The parallel Gaussian channel is further studied. The secrecy capacity and the secrecy degree of freedom ( are derived for the degraded case with one receiver. Schemes to achieve the for the case with two receivers and two eavesdroppers are constructed to demonstrate the necessity of a prefix channel in encoder design. Finally, the multi-antenna (i.e., MIMO compound wiretap channel is studied. The secrecy capacity is established for the degraded case and an achievable is given for the general case.

  12. Investigation of multifunctional properties of Mn{sub 50}Ni{sub 40−x}Co{sub x}Sn{sub 10} (x = 0–6) Heusler alloys

    Energy Technology Data Exchange (ETDEWEB)

    Sharma, Jyoti; Suresh, K.G., E-mail: suresh@phy.iitb.ac.in

    2015-01-25

    Highlights: • Mn{sub 50}Ni{sub 40−x}Co{sub x}Sn{sub 10} Heusler alloys exhibit multifunctional properties. • Co doping results decrease in martensitic transition temperature and increase in T{sub C}{sup A}. • Ferromagnetic coupling increases with increase in Co concentration. • Large positive ΔS{sub M} of 10.5 J/kg K and large RCP of 125 J/kg was obtained for x = 1. • Large exchange bias field of 833 Oe was observed for Mn{sub 50}Ni{sub 39}Co{sub 1}Sn{sub 10} alloy. - Abstract: A series of Co doped Mn{sub 50}Ni{sub 40−x}Co{sub x}Sn{sub 10} (x = 0, 1, 2, 2.5, 3, 4 and 6) Heusler alloys has been investigated for their structural, magnetic, magnetocaloric and exchange bias properties. The martensitic transition temperatures are found to decrease with the increase in Co concentration due to the decrease in valence electron concentration (e/a ratio). The Curie temperature of austenite phase increases significantly with increasing Co concentration. A large positive magnetic entropy change (ΔS{sub M}) of 8.6 and 10.5 J/kg K, for a magnetic field change of 50 kOe is observed for x = 0 and 1 alloys, and ΔS{sub M} values decreases for higher Co concentrations. The relative cooling power shows a monotonic increase with the increase in Co concentration. Large exchange bias fields of 920 Oe and 833 Oe have been observed in the alloys with compositions x = 0 and 1, after field cooling in presence of 10 kOe. The unidirectional anisotropy arising at the interface between the frustrated and ferromagnetic phases is responsible for the large exchange bias observed in these alloys. With increase in Co, the magnetically frustrated phase diminishes in strength, giving rise to a decrease in the exchange bias effect for larger Co concentration. The exchange bias fields observed for compositions x = 0 and 1, in the present case are larger than that reported for Co doped Ni–Mn–Z (Z = Sn, Sb, and Ga) alloys. Temperature and cooling field dependence of the exchange bias

  13. Nomenclature on an inorganic compound

    International Nuclear Information System (INIS)

    1998-10-01

    This book contains eleven chapters : which mention nomenclature of an inorganic compound with introduction and general principle on nomenclature of compound. It gives the description of grammar for nomenclature such as brackets, diagonal line, asterisk, and affix, element, atom and groups of atom, chemical formula, naming by stoichiometry, solid, neutral molecule compound, ion, a substituent, radical and name of salt, oxo acid and anion on introduction and definition of oxo acid, coordination compound like symbol of stereochemistry , boron and hydrogen compound and related compound.

  14. Offset Compound Gear Drive

    Science.gov (United States)

    Stevens, Mark A.; Handschuh, Robert F.; Lewicki, David G.

    2010-01-01

    The Offset Compound Gear Drive is an in-line, discrete, two-speed device utilizing a special offset compound gear that has both an internal tooth configuration on the input end and external tooth configuration on the output end, thus allowing it to mesh in series, simultaneously, with both a smaller external tooth input gear and a larger internal tooth output gear. This unique geometry and offset axis permits the compound gear to mesh with the smaller diameter input gear and the larger diameter output gear, both of which are on the same central, or primary, centerline. This configuration results in a compact in-line reduction gear set consisting of fewer gears and bearings than a conventional planetary gear train. Switching between the two output ratios is accomplished through a main control clutch and sprag. Power flow to the above is transmitted through concentric power paths. Low-speed operation is accomplished in two meshes. For the purpose of illustrating the low-speed output operation, the following example pitch diameters are given. A 5.0 pitch diameter (PD) input gear to 7.50 PD (internal tooth) intermediate gear (0.667 reduction mesh), and a 7.50 PD (external tooth) intermediate gear to a 10.00 PD output gear (0.750 reduction mesh). Note that it is not required that the intermediate gears on the offset axis be of the same diameter. For this example, the resultant low-speed ratio is 2:1 (output speed = 0.500; product of stage one 0.667 reduction and stage two 0.750 stage reduction). The design is not restricted to the example pitch diameters, or output ratio. From the output gear, power is transmitted through a hollow drive shaft, which, in turn, drives a sprag during which time the main clutch is disengaged.

  15. Toxicology of alkylmercury compounds.

    Science.gov (United States)

    Aschner, Michael; Onishchenko, Natalia; Ceccatelli, Sandra

    2010-01-01

    Methylmercury is a global pollutant and potent neurotoxin whose abundance in the food chain mandates additional studies on the consequences and mechanisms of its toxicity to the central nervous system. Formulation of our new hypotheses was predicated on our appreciation for (a) the remarkable affinity of mercurials for the anionic form of sulfhydryl (-SH) groups, and (b) the essential role of thiols in protein biochemistry. The present chapter addresses pathways to human exposure of various mercury compounds, highlighting their neurotoxicity and potential involvement in neurotoxic injury and neurodegenerative changes, both in the developing and senescent brain. Mechanisms that trigger these effects are discussed in detail.

  16. Compound composite odontoma

    Directory of Open Access Journals (Sweden)

    S Kailasam

    2012-01-01

    Full Text Available Odontomas are the most common type of odontogenic tumors and generally they are asymptomatic. Frequently, it may interfere with the eruption of the teeth. This is a case report of a compound composite odontoma in a 10-year-old girl, which results in failure of eruption of the permanent upper right central incisor while the contralateral tooth had erupted. A calcified mass was seen in the radiograph and was provisionally diagnosed as odontoma following which the odontoma was enucleated. Routine follow-up was done for more than a year and no recurrence was seen. This case report indicates that early diagnosis and management ensures better prognosis.

  17. Flavour Compounds in Fungi

    DEFF Research Database (Denmark)

    Ravasio, Davide Antonio

    . This selection of strains was used in fermentations with the aim of identifying new interesting flavour producers. Fermentation profiles, volatile analyses, off-flavour identification and resistance to osmotic/oxidative stress have been addressed to highlight new candidates to use for industrial applications....... This resulted in the identification of Wickerhamomyces anomalus and Pichia kluyveri as high producers of esters fruity compounds, which contribute to enhance the complexity of wine and beer product. In addition the strain Debaromyces subglobosus showed high yields of aldehydes and fruity ketones, which...

  18. Antifouling Compounds from Marine Invertebrates.

    Science.gov (United States)

    Qi, Shu-Hua; Ma, Xuan

    2017-08-28

    In this review, a comprehensive overview about the antifouling compounds from marine invertebrates is described. In total, more than 198 antifouling compounds have been obtained from marine invertebrates, specifically, sponges, gorgonian and soft corals.

  19. Antifouling Compounds from Marine Invertebrates

    OpenAIRE

    Qi, Shu-Hua; Ma, Xuan

    2017-01-01

    In this review, a comprehensive overview about the antifouling compounds from marine invertebrates is described. In total, more than 198 antifouling compounds have been obtained from marine invertebrates, specifically, sponges, gorgonian and soft corals.

  20. Catalytic properties of niobium compounds

    International Nuclear Information System (INIS)

    Tanabe, K.; Iizuka, T.

    1983-04-01

    The catalytic activity and selectivity of niobium compounds including oxides, salts, organometallic compounds and others are outlined. The application of these compounds as catalysts to diversified reactions is reported. The nature and action of niobium catalysts are characteristic and sometimes anomalous, suggesting the necessity of basic research and the potential use as catalysts for important processes in the chemical industry. (Author) [pt

  1. Molecular modeling of inorganic compounds

    National Research Council Canada - National Science Library

    Comba, Peter; Hambley, Trevor W; Martin, Bodo

    2009-01-01

    ... mechanics to inorganic and coordination compounds. Initially, simple metal complexes were modeled, but recently the field has been extended to include organometallic compounds, catalysis and the interaction of metal ions with biological macromolecules. The application of molecular mechanics to coordination compounds is complicated by the numbe...

  2. Organometallic compounds in the environment

    National Research Council Canada - National Science Library

    Craig, P. J

    2003-01-01

    ... of Organometallic Species in the Environment 20 1.10 Stability of Organometallic Compounds in Biological Systems 1.11 G eneral Comments on the Toxicities of Organometallic Compounds 22 1.12 General Considerations on Environmental R eactivity of Organometallic Compounds 24 1.13 Microbial Biotransformation of Metals and M etalloids 25 1.13.1 Introduction 25 1...

  3. Goldenphilicity: Luminescent gold compounds

    International Nuclear Information System (INIS)

    Sansores, L.E.

    2002-01-01

    In the solids and molecules different types of bonds are presented depending on the involved atoms, covalent bonds are common among elements of open shell, where more bond orbitals are filled than anti bond orbitals. It is expected that ionic bonds among closed shell atoms which have charges of opposite sign. Bonds type Van der Waals are presented among molecules which have a bipolar moment. It would not be expected bonds among zero charge species, or more generally with the same nominal charge and in any case the attractive forces would be very small. In fact it is expected that two metallic cations to be repelled each other. There recently is evidence that in organic or organometallic compounds could exist attractive interactions between two cations of the d 8 -d 10 -s 2 families. These bonds are weak but stronger than those of Van der Waals. They are compared with the hydrogen bonds. In this work it was reviewed some examples in which the goldenphilicity plays an important role in the luminescence that the gold complexes present. Examples of mono, bi and trinuclear and the structures that these organometallic compounds could take are examined. (Author)

  4. Semiconducting III-V compounds

    CERN Document Server

    Hilsum, C; Henisch, Heinz R

    1961-01-01

    Semiconducting III-V Compounds deals with the properties of III-V compounds as a family of semiconducting crystals and relates these compounds to the monatomic semiconductors silicon and germanium. Emphasis is placed on physical processes that are peculiar to III-V compounds, particularly those that combine boron, aluminum, gallium, and indium with phosphorus, arsenic, and antimony (for example, indium antimonide, indium arsenide, gallium antimonide, and gallium arsenide).Comprised of eight chapters, this book begins with an assessment of the crystal structure and binding of III-V compounds, f

  5. Volatile organic compounds

    International Nuclear Information System (INIS)

    Silseth, May Liss

    1998-01-01

    The goal is: Not more emission of volatile organic compounds (VOCs) than necessary. The items discussed in this presentation are the VOCs, how to calculate emission of VOCs, how to reduce or avoid them, and different recovery processes. The largest source of Norwegian emissions of non methane VOCs (NMVOCs) is offshore loading of raw petroleum. Emissions of VOCs should be reduced mainly for two reasons: (1) on sunny days NMVOCs may react with NOx to form ozon and smog close to the surface, (2) ozone and smog close to the surface may be harmful to plants and animals, and they are hazardous to human health. As for the calculation of VOC emissions, the VOCON project will release the calculation program HCGASS in 1999. This project is a cooperative project headed by SINTEF/Marintek

  6. Synthesis of labeled compounds

    International Nuclear Information System (INIS)

    Whaley, T.W.

    1977-01-01

    Intermediate compounds labeled with 13 C included methane, sodium cyanide, methanol, ethanol, and acetonitrile. A new method for synthesizing 15 N-labeled 4-ethylsulfonyl-1-naphthalene-sulfonamide was developed. Studies were conducted on pathways to oleic-1- 13 C acid and a second pathway investigated was based on carbonation of 8-heptadecynylmagnesium bromide with CO 2 to prepare sterolic acid. Biosynthetic preparations included glucose- 13 C from starch isolated from tobacco leaves following photosynthetic incubation with 13 CO 2 and galactose- 13 C from galactosylglycerol- 13 C from kelp. Research on growth of organisms emphasized photosynthetic growth of algae in which all cellular carbon is labeled. Preliminary experiments were performed to optimize the growth of Escherichia coli on sodium acetate- 13 C

  7. Deposition of acidifying compounds

    International Nuclear Information System (INIS)

    Fowler, D.; Cape, J.N.; Sutton, M.A.; Mourne, R.; Hargreaves, K.J.; Duyzer, J.H.; Gallagher, M.W.

    1992-01-01

    Inputs of acidifying compounds to terrestrial ecosystems include deposition of the gases NO 2 , NO, HNO 2 , HNO 3 , NH 3 and SO 2 and the ions NO 3- , NH 4+ , SO 4 2- and H + in precipitation, cloud droplets and particles. Recent research has identified particular ecosystems and regions in which terrestrial effects are closely linked with specific deposition processes. This review paper identifies areas in which important developments have occurred during the last five years and attempts to show which aspects of the subject are most important for policy makers. Amongst the conclusions drawn, the authors advise that current uncertainties in estimates of S and N inputs by dry deposition should be incorporated in critical load calculations, and that, in regions dominated by wet deposition, spatial resolution of total inputs should be improved to match the current scales of information on landscape sensitivity to acidic inputs. 44 refs., 9 figs

  8. TSTA compound cryopump

    International Nuclear Information System (INIS)

    Batzer, T.H.; Patrick, R.E.; Call, W.R.

    1980-01-01

    The Tritium System Test Assembly (TSTA), at the Los Alamos Scientific Laboratory, is intended to demonstrate realistic fuel supply and cleanup scenarios for future fusion reactors. The vacuum pumps must be capable of handling large quantities of reactor exhaust gases consisting largely of mixtures of hydrogen and helium isotopes. Cryocondensing pumps will not pump helium at 4.2 K; while cryosorption pumps using molecular sieves or charcoal have good helium pumping speed, the adsorbent clogs with condensed hydrogen while pumping mixtures of both. A solution to this problem is a compound design whereby the first stage condenses the hydrogen and the second, or sorption, stage pumps the helium. The TSTA pump designed at Lawrence Livermore National Laboratory uses argon gas to cryotrap the helium in the helium-hydrogen mixture. The argon is sprayed directly onto the 4.2 K surface at a rate proportional to the helium flow rate, permitting continuous pumping of the helium-hydrogen mixtures in a single-stage pump. However, the possibility of differential desorption as a first stage in the TSTA gas separation cycle required the inclusion of a first-stage hydrogen isotope condenser. The design, performance, and operating characteristics are discussed

  9. Pluto's Nonvolatile Chemical Compounds

    Science.gov (United States)

    Grundy, William M.; Binzel, Richard; Cook, Jason C.; Cruikshank, Dale P.; Dalle Ore, Cristina M.; Earle, Alissa M.; Ennico, Kimberly; Jennings, Donald; Howett, Carly; Kaiser, Ralf-Ingo; Linscott, Ivan; Lunsford, A. W.; Olkin, Catherine B.; Parker, Alex Harrison; Parker, Joel Wm.; Philippe, Sylvain; Protopapa, Silvia; Quirico, Eric; Reuter, D. C.; Schmitt, Bernard; Singer, Kelsi N.; Spencer, John R.; Stansberry, John A.; Stern, S. Alan; Tsang, Constantine; Verbiscer, Anne J.; Weaver, Harold A.; Weigle, G. E.; Young, Leslie

    2016-10-01

    Despite the migration of Pluto's volatile ices (N2, CO, and CH4) around the surface on seasonal timescales, the planet's non-volatile materials are not completely hidden from view. They occur in a variety of provinces formed over a wide range of timescales, including rugged mountains and chasms, the floors of mid-latitude craters, and an equatorial belt of especially dark and reddish material typified by the informally named Cthulhu Regio. NASA's New Horizons probe observed several of these regions at spatial resolutions as fine as 3 km/pixel with its LEISA imaging spectrometer, covering wavelengths from 1.25 to 2.5 microns. Various compounds that are much lighter than the tholin-like macromolecules responsible for the reddish coloration, but that are not volatile at Pluto surface temperatures such as methanol (CH3OH) and ethane (C2H6) have characteristic absorption bands within LEISA's wavelength range. This presentation will describe their geographic distributions and attempt to constrain their origins. Possibilities include an inheritance from Pluto's primordial composition (the likely source of H2O ice seen on Pluto's surface) or ongoing production from volatile precursors through photochemistry in Pluto's atmosphere or through radiolysis on Pluto's surface. New laboratory data inform the analysis.This work was supported by NASA's New Horizons project.

  10. Affixation and compounding in Hakka

    OpenAIRE

    Ungsitipoonporn, Siriopen

    2014-01-01

    This paper aims to present the internal structures of words in the Hakka language. Similar to other languages, affixation and compounding are outstanding in Hakka. In general, prefixes and suffixes are bound morphemes which do not occur independently, but in Hakka they sometimes appear as independent forms. Apart from single words, identifying compound words is of particular interest. Compound nouns can be made up of two or three words (characters) which ...

  11. Natural compounds with herbicidal activity

    Directory of Open Access Journals (Sweden)

    Mariano Fracchiolla

    2007-12-01

    Full Text Available Research about phytotoxic activity of natural compounds could lead both to find new herbicidal active ingredients and to plan environmental friendly weed control strategies. Particularly, living organisms could be a source of compounds that are impossible, for their complexity, to synthesize artificially. More over, they could have alternative sites of action respect to the known chemical herbicides and, due to their origin, they should be more environmental safe. Many living organism, such as bacteria, fungi, insects, lichens and plants, are able to produce bioactive compounds. They generally are secondary metabolites or simply waste molecules. In this paper we make a review about these compounds, highlighting potential and constraints.

  12. Natural compounds with herbicidal activity

    Directory of Open Access Journals (Sweden)

    Pasquale Montemurro

    2011-02-01

    Full Text Available Research about phytotoxic activity of natural compounds could lead both to find new herbicidal active ingredients and to plan environmental friendly weed control strategies. Particularly, living organisms could be a source of compounds that are impossible, for their complexity, to synthesize artificially. More over, they could have alternative sites of action respect to the known chemical herbicides and, due to their origin, they should be more environmental safe. Many living organism, such as bacteria, fungi, insects, lichens and plants, are able to produce bioactive compounds. They generally are secondary metabolites or simply waste molecules. In this paper we make a review about these compounds, highlighting potential and constraints.

  13. Antimicrobial compounds in tears.

    Science.gov (United States)

    McDermott, Alison M

    2013-12-01

    The tear film coats the cornea and conjunctiva and serves several important functions. It provides lubrication, prevents drying of the ocular surface epithelia, helps provide a smooth surface for refracting light, supplies oxygen and is an important component of the innate defense system of the eye providing protection against a range of potential pathogens. This review describes both classic antimicrobial compounds found in tears such as lysozyme and some more recently identified such as members of the cationic antimicrobial peptide family and surfactant protein-D as well as potential new candidate molecules that may contribute to antimicrobial protection. As is readily evident from the literature review herein, tears, like all mucosal fluids, contain a plethora of molecules with known antimicrobial effects. That all of these are active in vivo is debatable as many are present in low concentrations, may be influenced by other tear components such as the ionic environment, and antimicrobial action may be only one of several activities ascribed to the molecule. However, there are many studies showing synergistic/additive interactions between several of the tear antimicrobials and it is highly likely that cooperativity between molecules is the primary way tears are able to afford significant antimicrobial protection to the ocular surface in vivo. In addition to effects on pathogen growth and survival some tear components prevent epithelial cell invasion and promote the epithelial expression of innate defense molecules. Given the protective role of tears a number of scenarios can be envisaged that may affect the amount and/or activity of tear antimicrobials and hence compromise tear immunity. Two such situations, dry eye disease and contact lens wear, are discussed here. Copyright © 2013 Elsevier Ltd. All rights reserved.

  14. Ferromagnetic resonance study of the half-Heusler alloy NiMnSb. The benefit of using NiMnSb as a ferromagnetic layer in pseudo-spin-valve based spin-torque oscillators

    Energy Technology Data Exchange (ETDEWEB)

    Riegler, Andreas

    2011-11-25

    Since the discovery of spin torque in 1996, independently by Berger and Slonczewski, and given its potential impact on information storage and communication technologies, (e.g. through the possibility of switching the magnetic configuration of a bit by current instead of a magnetic field, or the realization of high frequency spin torque oscillators (STO)), this effect has been an important field of spintronics research. One aspect of this research focuses on ferromagnets with low damping. The lower the damping in a ferromagnet, the lower the critical current that is needed to induce switching of a spin valve or induce precession of its magnetization. In this thesis ferromagnetic resonance (FMR) studies of NiMnSb layers are presented along with experimental studies on various spin-torque (ST) devices using NiMnSb. NiMnSb, when crystallized in the half-Heusler structure, is a half-metal which is predicted to have 100% spin polarization, a consideration which further increases its potential as a candidate for memory devices based on the giant magnetoresistance (GMR) effect. The FMR measurements show an outstandingly low damping factor for NiMnSb, in low 10{sup -3} range. This is about a factor of two lower than permalloy and well comparable to lowest damping for iron grown by molecular beam epitaxy (MBE). According to theory the 100% spin polarization properties of the bulk disappear at interfaces where the break in translational symmetry causes the gap in the minority spin band to collapse but can remain in other crystal symmetries such as (111). Consequently NiMnSb layers on (111)(In,Ga)As buffer are characterized in respect of anisotropies and damping. The FMR measurements on these samples indicates a higher damping that for the 001 samples, and a thickness dependent uniaxial in-plane anisotropy. Investigations of the material for device use is pursued by considering sub-micrometer sized elements of NiMnSb on 001 substrates, which were fabricated by electron

  15. Effects of the thermal and magnetic paths on first order martensite transition of disordered Ni45Mn44Sn9In2 Heusler alloy exhibiting a giant magnetocaloric effect and magnetoresistance near room temperature

    Science.gov (United States)

    Chabri, T.; Ghosh, A.; Nair, Sunil; Awasthi, A. M.; Venimadhav, A.; Nath, T. K.

    2018-05-01

    The existence of a first order martensite transition in off-stoichiometric Ni45Mn44Sn9In2 ferromagnetic shape memory Heusler alloy has been clearly observed by thermal, magnetic, and magneto-transport measurements. Field and thermal path dependence of the change in large magnetic entropy and negative magnetoresistance are observed, which originate due to the sharp change in magnetization driven by metamagnetic transition from the weakly magnetic martensite phase to the ferromagnetic austenite phase in the vicinity of the martensite transition. The noticeable shift in the martensite transition with the application of a magnetic field is the most significant feature of the present study. This shift is due to the interplay of the austenite and martensite phase fraction in the alloy. The different aspects of the first order martensite transition, e.g. broadening of the martensite transition and the field induced arrest of the austenite phase are mainly related to the dynamics of coexisting phases in the vicinity of the martensite transition. The alloy also shows a second order ferromagnetic  →  paramagnetic transition near the Curie temperature of the austenite phase. A noticeably large change in magnetic entropy (ΔS M   =  24 J kg‑1 K‑1 at 298 K) and magnetoresistance (=  ‑33% at 295 K) has been observed for the change in 5 and 8 T magnetic fields, respectively. The change in adiabatic temperature for the change in a magnetic field of 5 T is found to be  ‑3.8 K at 299 K. The low cost of the ingredients and the large change in magnetic entropy very near to the room temperature makes Ni45Mn44Sn9In2 alloy a promising magnetic refrigerant for real technological application.

  16. Tuning magneto-structural properties of Ni{sub 44}Co{sub 6}Mn{sub 39}Sn{sub 11} Heusler alloy ribbons by Fe-doping

    Energy Technology Data Exchange (ETDEWEB)

    Wójcik, Anna, E-mail: a.wojcik@imim.pl [Institute of Metallurgy and Materials Science, Polish Academy of Sciences, 25 Reymonta Street, 30-059 Kraków (Poland); Maziarz, Wojciech; Szczerba, Maciej J. [Institute of Metallurgy and Materials Science, Polish Academy of Sciences, 25 Reymonta Street, 30-059 Kraków (Poland); Sikora, Marcin [Academic Centre for Materials and Nanotechnology, AGH University of Science and Technology, Al. Mickiewicza 30, 30-059 Kraków (Poland); Dutkiewicz, Jan [Institute of Metallurgy and Materials Science, Polish Academy of Sciences, 25 Reymonta Street, 30-059 Kraków (Poland); Cesari, Eduard [Departament de Física, Universitat de les Illes Balears, Ctra. De Valldemossa, km 7.5, E-07122 Palma de Mallorca (Spain)

    2016-07-15

    Graphical abstract: - Highlights: • Fe substitution for Ni in Ni{sub 44}Co{sub 6}Mn{sub 39}Sn{sub 11} causes a drastic decrease of M{sub T} temperature. • The type of structure changes with increasing of iron (12M → 10M + L2{sub 1} → L2{sub 1}). • Content of Fe above 1 at.% has a negative influence on magneto-structural properties. - Abstract: Microstructure, martensitic transformation behavior and magnetic properties of Ni{sub 44−x}Fe{sub x}Co{sub 6}Mn{sub 39}Sn{sub 11} (x = 0, 1, 2 at.%) melt spun ribbons have been investigated. The influence of iron addition has been thoroughly studied by means of electron microscopy, X-ray diffraction and vibrating sample magnetometry. The results show that addition of 1 at.% of iron into quaternary Ni–Co–Mn–Sn Heusler alloy drastically decreases the martensitic transformation temperature by more than 100 K. Higher concentration of iron leads to complete suppression of martensitic transition. The structure of samples change from fully martensite (12 M) through mixed austenite-martensite (L2{sub 1} + 10 M) to fully austenite (L2{sub 1}) with increase of iron content. Addition of 1 at.% of iron leads to enhance magnetization of both austenitic and martensitic phases and also a small increase of Curie temperature occurs. The largest change of magnetic entropy under 15 kOe measured 2.9 and 0.65 J kg{sup −1} K{sup −1} for alloys where x = 0 and 1, respectively.

  17. II-VI semiconductor compounds

    CERN Document Server

    1993-01-01

    For condensed matter physicists and electronic engineers, this volume deals with aspects of II-VI semiconductor compounds. Areas covered include devices and applications of II-VI compounds; Co-based II-IV semi-magnetic semiconductors; and electronic structure of strained II-VI superlattices.

  18. Compound-heterozygous Marfan syndrome

    NARCIS (Netherlands)

    van Dijk, F. S.; Hamel, B. C.; Hilhorst-Hofstee, Y.; Mulder, B. J. M.; Timmermans, J.; Pals, G.; Cobben, J. M.

    2009-01-01

    We report two families in which the probands have compound-heterozygous Marfan syndrome (MFS). The proband of family I has the R2726W FBN1 mutation associated with isolated skeletal features on one allele and a pathogenic FBN1 mutation on the other allele. The phenotype of the compound-heterozygous

  19. Radioactive decay and labeled compounds

    International Nuclear Information System (INIS)

    Anon.

    1991-01-01

    This chapter on radioactive decay and labeled compounds has numerous intext equations and worked, sample problems. Topics covered include the following: terms and mathematics of radioactive decay; examples of calculations; graphs of decay equations; radioactivity or activity; activity measurements; activity decay; half-life determinations; labeled compounds. A 20 problem set is also included. 1 ref., 4 figs., 1 tab

  20. Radiolysis of other organic compounds

    International Nuclear Information System (INIS)

    Pikaev, A.K.

    1986-01-01

    Peculiarities of radiolysis of organic halogen, phosphorus, sulfur and nitrogen (including amines, amides, nitriles et al.) compounds in liquid phase are discussed. Intermediate and stable finish products of radiolysis of the given compounds, properties and radiochemical yields of these products are considered

  1. 2. Intermetallic compounds with lanthanides

    International Nuclear Information System (INIS)

    Elemans, J.B.A.A.

    1975-01-01

    Theoretical considerations are given concerning the structures of intermetallic compounds of the lanthanides and thorium (R) on the one hand, and with Fe, Co or Ni (M) on the other. They all derive from the parent composition RM 5 with the CaCu 5 hexagonal structure. This consists of alternate layers in which the M atoms are distinguished as M 1 and M 2 . The other compounds whose structures are studied are obtained by systematic replacement of R by M, or vice versa. In the first type, every third R is replaced by two M's yielding R 2 M 17 compounds. The substitution may be truly random or structured in two ways: so that either the hexagonal structure is maintained or that it is converted into a rhombihedral one. In the second type, one M (in a M 1 position) out of every five is replaced by one R, giving rise to RM 2 compounds which form Laves phases. In the third type, the M 1 's are replaced by R's, resulting in compounds RM 3 . In the fourth type, every third M is replaced by R, yielding R 2 M 7 compounds. With M = Co and R a light lanthanide, the compounds are ferromagnets; with R yttrium, thorium, or a heavy lanthanide, they are ferrimagnets. The preparation of the compounds in an arc-melting apparatus under an Ar-atmosphere followed by annealing is described

  2. Xenobiotic organic compounds in wastewater

    DEFF Research Database (Denmark)

    Eriksson, Eva; Baun, Anders; Henze, Mogens

    2002-01-01

    hundred of XOCs, among them mainly originating from hygiene products: chlorophenols, detergents and phthalates. Several compounds not deriving from hygiene products were also identified e.g. flame-retardants and drugs. A environmental hazard identification showed that a large number of compounds with high...

  3. Devices for collecting chemical compounds

    Science.gov (United States)

    Scott, Jill R; Groenewold, Gary S

    2013-12-24

    A device for sampling chemical compounds from fixed surfaces and related methods are disclosed. The device may include a vacuum source, a chamber and a sorbent material. The device may utilize vacuum extraction to volatilize the chemical compounds from a fixed surface so that they may be sorbed by the sorbent material. The sorbent material may then be analyzed using conventional thermal desorption/gas chromatography/mass spectrometry (TD/GC/MS) instrumentation to determine presence of the chemical compounds. The methods may include detecting release and presence of one or more chemical compounds and determining the efficacy of decontamination. The device may be useful in collection and analysis of a variety of chemical compounds, such as residual chemical warfare agents, chemical attribution signatures and toxic industrial chemicals.

  4. Multi-angle compound imaging

    DEFF Research Database (Denmark)

    Jespersen, Søren Kragh; Wilhjelm, Jens Erik; Sillesen, Henrik

    1998-01-01

    This paper reports on a scanning technique, denoted multi-angle compound imaging (MACI), using spatial compounding. The MACI method also contains elements of frequency compounding, as the transmit frequency is lowered for the highest beam angles in order to reduce grating lobes. Compared to conve......This paper reports on a scanning technique, denoted multi-angle compound imaging (MACI), using spatial compounding. The MACI method also contains elements of frequency compounding, as the transmit frequency is lowered for the highest beam angles in order to reduce grating lobes. Compared...... to conventional B-mode imaging MACI offers better defined tissue boundaries and lower variance of the speckle pattern, resulting in an image with reduced random variations. Design and implementation of a compound imaging system is described, images of rubber tubes and porcine aorta are shown and effects...... on visualization are discussed. The speckle reduction is analyzed numerically and the results are found to be in excellent agreement with existing theory. An investigation of detectability of low-contrast lesions shows significant improvements compared to conventional imaging. Finally, possibilities for improving...

  5. Effect of Bi substitution on the magnetic and magnetocaloric properties of Ni50Mn35In15-xBix Heusler alloys

    Science.gov (United States)

    Aryal, Anil; Quetz, Abdiel; Pandey, Sudip; Dubenko, Igor; Stadler, Shane; Ali, Naushad

    2018-05-01

    The structural, magnetic, magnetocaloric, and transport properties of Ni50Mn35In15-xBix (x = 0, 0.25, 0.5, 1, 1.5) compounds has been studied through X-ray diffraction (XRD), differential scanning calorimetry, and magnetization measurements. A mixture of high temperature austenite phase (AP) and low temperature martensitic phase (MP) was observed from the XRD at room temperature. The saturation magnetization MS at 10 K was found to decrease with increasing Bi content. A shift in the martensitic transition temperature (TM) relative to the parent compound was observed with a maximum shift of ˜ 36 K for x = 1.5. Abnormal shifts in TC and TM to higher temperatures were observed at high field for x ≥ 0.5. Large magnetic entropy changes (ΔSM) of about 40 J/kg K (x = 0) and 34 J/kg K (x = 0.25) were observed at TM with H = 5 T, which reduced significantly for higher Bi concentrations. The doping of small amounts of Bi in the In sites increased the peak width of the ΔSM curves at the second order transition, leading to larger values of relative cooling power. A significant magnetoresistance (-30%) was observed near TM with ΔH = 5T for x = 0.5.

  6. EPR investigations on technetium compounds

    International Nuclear Information System (INIS)

    Abram, U.; Munze, R.; Kirmse, R.; Stach, J.

    1986-01-01

    Stimulated by the widespread use of the isotope /sup 99m/Tc in the field of nuclear medicine, there has been a substantial growth of interest in the chemistry of this man-made element. A particular need emerges for analytical methods allowing solution investigations of coordination compounds of technetium with low substance use. Considering these facts, Electron Paramagnetic Resonance Spectroscopy (EPR) appears to be a very suitable method because only very small amounts of the compounds are needed (lower than 1 mg). The resulting spectra give information regarding the valence state, symmetry and bonding properties of the compounds under study

  7. Experimental Investigation on CO2 Methanation Process for Solar Energy Storage Compared to CO2-Based Methanol Synthesis

    NARCIS (Netherlands)

    Castellani, Beatrice; Gambelli, Alberto Maria; Morini, Elena; Nastasi, B.; Presciutti, Andrea; Filipponi, Mirko; Nicolini, Andrea; Rossi, Federico

    2017-01-01

    The utilization of the captured CO2 as a carbon source for the production of energy storage media offers a technological solution for overcoming crucial issues in current energy systems. Solar energy production generally does not match with energy demand because of its intermittent and

  8. Bringing High-Rate, CO2-Based Microbial Electrosynthesis Closer to Practical Implementation through Improved Electrode Design and Operating Conditions.

    Science.gov (United States)

    Jourdin, Ludovic; Freguia, Stefano; Flexer, Victoria; Keller, Jurg

    2016-02-16

    The enhancement of microbial electrosynthesis (MES) of acetate from CO2 to performance levels that could potentially support practical implementations of the technology must go through the optimization of key design and operating conditions. We report that higher proton availability drastically increases the acetate production rate, with pH 5.2 found to be optimal, which will likely suppress methanogenic activity without inhibitor addition. Applied cathode potential as low as -1.1 V versus SHE still achieved 99% of electron recovery in the form of acetate at a current density of around -200 A m(-2). These current densities are leading to an exceptional acetate production rate of up to 1330 g m(-2) day(-1) at pH 6.7. Using highly open macroporous reticulated vitreous carbon electrodes with macropore sizes of about 0.6 mm in diameter was found to be optimal for achieving a good balance between total surface area available for biofilm formation and effective mass transfer between the bulk liquid and the electrode and biofilm surface. Furthermore, we also successfully demonstrated the use of a synthetic biogas mixture as carbon dioxide source, yielding similarly high MES performance as pure CO2. This would allow this process to be used effectively for both biogas quality improvement and conversion of the available CO2 to acetate.

  9. Industrial uses of boron compounds

    Energy Technology Data Exchange (ETDEWEB)

    Pastor, H [Eurotungstene; Thevenot, F

    1978-06-01

    A review includes a section on the use in the chemical industry of some transition-metal borides as heterogeneous catalysts in the hydrogenation and dehydrogenation of organic compounds and in fuel cells.

  10. The demise of compound houses

    DEFF Research Database (Denmark)

    Andreasen, Jørgen; Eskemose Andersen, Jørgen

    2006-01-01

    of compound housing and analyses the advantages and disadvantages of life within such housing in Kumasi. Issues of privacy, image and communal life are usually cited by occupants dissatiesfied with life in compound houses, and the difficulty of extending them without spoiling the open spaces...... perceptions of what is acceptable urban life to the growing cohort of young African households. In addition, there is a need to explore innovative forms of tenure in order to secure the majority of Kumasi's population access to land for housing.......The compound house has long provided the accomodation required by low income households in West African cities. In Kumasi, Ghana, evidence suggests that no new compounds are being built. Instead, the city is being ringed by relatively affluent villa-style development while neighbourhoods dominated...

  11. Detection of chlorinated aromatic compounds

    Science.gov (United States)

    Ekechukwu, A.A.

    1996-02-06

    A method for making a composition for measuring the concentration of chlorinated aromatic compounds in aqueous fluids, and an optical probe for use with the method are disclosed. The composition comprises a hydrophobic polymer matrix, preferably polyamide, with a fluorescent indicator uniformly dispersed therein. The indicator fluoresces in the presence of the chlorinated aromatic compounds with an intensity dependent on the concentration of these compounds in the fluid of interest, such as 8-amino-2-naphthalene sulfonate. The probe includes a hollow cylindrical housing that contains the composition in its distal end. The probe admits an aqueous fluid to the probe interior for exposure to the composition. An optical fiber transmits excitation light from a remote source to the composition while the indicator reacts with chlorinated aromatic compounds present in the fluid. The resulting fluorescence light signal is reflected to a second optical fiber that transmits the light to a spectrophotometer for analysis. 5 figs.

  12. Third Symposium on Macrocyclic Compounds

    International Nuclear Information System (INIS)

    1979-01-01

    At the Third Symposium on Macrocyclic Compounds there were sessions on facilitated transport, analytical applications, organic synthesis and reactions, phase transfer catalysis, and metal complexation. Abstracts of the individual presentations are included

  13. Quality control of labelled compounds

    International Nuclear Information System (INIS)

    Matucha, M.

    1979-01-01

    Some advantages and disadvantages of methods used for quality control of organic labelled compounds (1 31 I, 14 C) are shortly discussed. The methods used are electrophoresis, ultraviolet and infrared spectrometry, radiogas and thin-layer chromatography. (author)

  14. Compound cueing in free recall

    Science.gov (United States)

    Lohnas, Lynn J.; Kahana, Michael J.

    2013-01-01

    According to the retrieved context theory of episodic memory, the cue for recall of an item is a weighted sum of recently activated cognitive states, including previously recalled and studied items as well as their associations. We show that this theory predicts there should be compound cueing in free recall. Specifically, the temporal contiguity effect should be greater when the two most recently recalled items were studied in contiguous list positions. A meta-analysis of published free recall experiments demonstrates evidence for compound cueing in both conditional response probabilities and inter-response times. To help rule out a rehearsal-based account of these compound cueing effects, we conducted an experiment with immediate, delayed and continual-distractor free recall conditions. Consistent with retrieved context theory but not with a rehearsal-based account, compound cueing was present in all conditions, and was not significantly influenced by the presence of interitem distractors. PMID:23957364

  15. Compound cuing in free recall.

    Science.gov (United States)

    Lohnas, Lynn J; Kahana, Michael J

    2014-01-01

    According to the retrieved context theory of episodic memory, the cue for recall of an item is a weighted sum of recently activated cognitive states, including previously recalled and studied items as well as their associations. We show that this theory predicts there should be compound cuing in free recall. Specifically, the temporal contiguity effect should be greater when the 2 most recently recalled items were studied in contiguous list positions. A meta-analysis of published free recall experiments demonstrates evidence for compound cuing in both conditional response probabilities and interresponse times. To help rule out a rehearsal-based account of these compound cuing effects, we conducted an experiment with immediate, delayed, and continual-distractor free recall conditions. Consistent with retrieved context theory but not with a rehearsal-based account, compound cuing was present in all conditions, and was not significantly influenced by the presence of interitem distractors.

  16. Crystallographic properties of fertilizer compounds

    Energy Technology Data Exchange (ETDEWEB)

    Frazier, A.W.; Dillard, E.F.; Thrasher, R.D.; Waerstad, K.R.; Hunter, S.R.; Kohler, J.J.; Scheib, R.M.

    1991-02-01

    This bulletin is a compilation of crystallographic data collected at NFERC on 450 fertilizer-related compounds. In TVA's fertilizer R and D program, petrographic examination, XRD, and infrared spectroscopy are combined with conventional chemical analysis methods in identifying the individual compounds that occur in fertilizer materials. This handbook brings together the results of these characterization studies and supplemental crystallographic data from the literature. It is in one-compound-per-page, loose-leaf format, ordered alphabetically by IUPAC name. Indexes provided include IUPAC name, formula, group, alternate formula, synonyms, x-ray data, optical data. Tables are given for solids, compounds in commercial MAP and DAP, and matrix materials in phosphate rock.

  17. Polishing compound for plastic surfaces

    Science.gov (United States)

    Stowell, M.S.

    1991-01-01

    This invention is comprised of a polishing compound for plastic materials. The compound includes approximately by approximately by weight 25 to 80 parts at least one petroleum distillate lubricant, 1 to 12 parts mineral spirits, 50 to 155 parts abrasive paste, and 15 to 60 parts water. Preferably, the compound includes approximately 37 to 42 parts at least one petroleum distillate lubricant, up to 8 parts mineral spirits, 95 to 110 parts abrasive paste, and 50 to 55 parts water. The proportions of the ingredients are varied in accordance with the particular application. The compound is used on PLEXIGLAS{trademark}, LEXAN{trademark}, LUCITE{trademark}, polyvinyl chloride (PVC), and similar plastic materials whenever a smooth, clear polished surface is desired.

  18. Phenolic Compounds in Brassica Vegetables

    Directory of Open Access Journals (Sweden)

    Pablo Velasco

    2010-12-01

    Full Text Available Phenolic compounds are a large group of phytochemicals widespread in the plant kingdom. Depending on their structure they can be classified into simple phenols, phenolic acids, hydroxycinnamic acid derivatives and flavonoids. Phenolic compounds have received considerable attention for being potentially protective factors against cancer and heart diseases, in part because of their potent antioxidative properties and their ubiquity in a wide range of commonly consumed foods of plant origin. The Brassicaceae family includes a wide range of horticultural crops, some of them with economic significance and extensively used in the diet throughout the world. The phenolic composition of Brassica vegetables has been recently investigated and, nowadays, the profile of different Brassica species is well established. Here, we review the significance of phenolic compounds as a source of beneficial compounds for human health and the influence of environmental conditions and processing mechanisms on the phenolic composition of Brassica vegetables.

  19. Fourth symposium on macrocyclic compounds

    International Nuclear Information System (INIS)

    Christensen, J.J.; Izatt, R.M.

    1980-01-01

    Both theoretical and experimental aspects of the properties and behavior of synthetic and naturally occurring macrocyclic compounds are covered in this symposium. This document contains abstracts of the papers

  20. Radiation curable hydantoin diacrylate compounds

    International Nuclear Information System (INIS)

    Seltzer, R.; DiPrima, J.F.

    1979-01-01

    The diacrylate compounds are liquid at room temperature, easily processable as adhesives, casting and laminating resins and when cured possess excellent resistance to water. These compositions are easily cured exposure to ionizing radiations

  1. Inorganic, coordination and organometallic compounds

    International Nuclear Information System (INIS)

    Jursik, F.

    1978-01-01

    Separation of cations and anions of inorganic, coordination and metalloorganic compounds by the method of liquid column chromatography is considered. Common scheme of multicomponent cation mixture is suggesteed. Separation conditions, adsrbents, eluents, pH value solution concenstration, elution rate are also suggested. Separation of rare earth elements Cs, Be, Cd, Te, Th, U, Mo, Re, V, Ru, Zr, In compounds is considered as an example of liquid column chromatography application. Data on column chromatography application are summarized in a table

  2. Compound Odontoma in young girl

    Directory of Open Access Journals (Sweden)

    Nurwahida Nurwahida

    2017-08-01

    Full Text Available Introduction. Odontomas are the most common type of odontogenic tumors and generally they are asymptomatic. These tumors are formed from enamel and dentin, and can have variable amounts of cement and pulp tissues. According to radiographic, microscopic, and clinical features, two types of odontomas are recognized: Complex and compound odontomas. Complex odontomas occur mostly in the posterior part of the mandible and compound odontomas in the anterior maxilla. Case Report. A young girl patient, 9 years old came to Department of Oral and Maxillofacial Surgery with a slow growing and asymptomatic swelling in her left posterior mandible for 5 years in his history taking. The panoramic radiograph show  a radioopacity and radiolucent lesion at the lower second molar region, with well-corticated limits. An insisional biopsi   confirmed  as compound odontoma. The surgery  performed with simple enucleation and curettage under general anaesthesia. Discussion. Compound odontomas are usually located in the anterior maxilla, over the crowns of unerupted teeth, or between the roots of erupted teeth. In this case report, Compound odontomas are found in the posterior mandible. Conclusion. Compound odontomas in the posterior mandible is a rare. The treatment of odontomas depends on the size of the lesion. The early diagnosis, the treatment of choice is conservative surgical enucleation and curettage and prognosis is excellent.

  3. Diazo compounds in the chemistry of fullerenes

    International Nuclear Information System (INIS)

    Tuktarov, Airat R; Dzhemilev, Usein M

    2010-01-01

    Experimental and theoretical data on the reactions of different diazo compounds (diazomethane, its derivatives, cyclic diazo compounds and diazocarbonyl compounds) with fullerenes are summarized. The structures and stereochemistry of cycloadducts formed in these reactions are considered.

  4. Diazo compounds in the chemistry of fullerenes

    Science.gov (United States)

    Tuktarov, Airat R.; Dzhemilev, Usein M.

    2010-09-01

    Experimental and theoretical data on the reactions of different diazo compounds (diazomethane, its derivatives, cyclic diazo compounds and diazocarbonyl compounds) with fullerenes are summarized. The structures and stereochemistry of cycloadducts formed in these reactions are considered.

  5. Diazo compounds in the chemistry of fullerenes

    Energy Technology Data Exchange (ETDEWEB)

    Tuktarov, Airat R; Dzhemilev, Usein M [Institute of Petrochemistry and Catalysis, Russian Academy of Sciences, Ufa (Russian Federation)

    2010-09-14

    Experimental and theoretical data on the reactions of different diazo compounds (diazomethane, its derivatives, cyclic diazo compounds and diazocarbonyl compounds) with fullerenes are summarized. The structures and stereochemistry of cycloadducts formed in these reactions are considered.

  6. Method for purifying bidentate organophosphorus compounds

    International Nuclear Information System (INIS)

    Schulz, W.W.

    1977-01-01

    Bidentate organophosphorus compounds useful for extracting actinide elements from acidic nuclear waste solutions are purified of undesirable acidic impurities by contacting the compounds with ethylene glycol which preferentially extracts the impurities found in technical grade bidentate compounds

  7. Near total magnetic moment compensation with high Curie temperature in Mn2V0.5Co0.5Z (Z  =  Ga,Al) Heusler alloys

    Science.gov (United States)

    Midhunlal, P. V.; Arout Chelvane, J.; Arjun Krishnan, U. M.; Prabhu, D.; Gopalan, R.; Kumar, N. Harish

    2018-02-01

    Mn2V1-x Co x Z (Z  =  Ga,Al and x  =  0, 0.25, 0.5, 0.75, 1) Heusler alloys have been synthesized to investigate the effect of Co substitution at the V site on the magnetic moment and Curie temperature of half-metallic ferrimagnets Mn2VGa and Mn2VAl. Near total magnetic moment compensation was achieved with high Curie temperature for x  =  0.5 composition. The Co substituted alloys show a non linear decrease in lattice parameter without altering the crystal structure of the parent alloys. The end members Mn2VGa and Mn2CoGa have the saturation magnetization of 1.80 µ B/f.u. and 2.05 µ B/f.u. respectively whereas for the Mn2V0.5Co0.5Ga alloy, a near total magnetic moment compensation (0.10 µ B/f.u.) was observed due to the ferrimagnetic coupling of Mn with parallelly aligned V and Co. The Co substituted Mn2VAl has also shown a similar trend with compensated magnetic moment value of 0.06 µ B/f.u. for x  =  0.5. The Curie temperatures of the alloys including the x  =  0.5 composition are well above the room temperature (more than 650 K) which is in sharp contrast to the earlier reported values of 171 K for the (MnCo)VGa and 105 K for the (MnCo)VAl (substitution at the Mn site). The observed T C values are highest among the Mn2V based fully compensated ferrimagnets. The magnetic moment compensation without significant reduction in T C indicates that the V site substitution of Co does not weaken the magnetic interaction in Mn2VZ (Z  =  Ga,Al) alloys which is contrary to the earlier experimental reports on Mn site substitution.

  8. Extraterrestrial Organic Compounds in Meteorites

    Science.gov (United States)

    Botta, Oliver; Bada, Jeffrey L.; Meyer, Michael (Technical Monitor)

    2003-01-01

    Many organic compounds or their precursors found in meteorites originated in the interstellar or circumstellar medium and were later incorporated into planetesimals during the formation of the solar system. There they either survived intact or underwent further processing to synthesize secondary products on the meteorite parent body. The most distinct feature of CI and CM carbonaceous chondrites, two types of stony meteorites, is their high carbon content (up to 3% of weight), either in the form of carbonates or of organic compounds. The bulk of the organic carbon consists of an insoluble macromolecular material with a complex structure. Also present is a soluble organic fraction, which has been analyzed by several separation and analytical procedures. Low detection limits can be achieved by derivatization of the organic molecules with reagents that allow for analysis by gas chromatography/mass spectroscopy and high performance liquid chromatography. The CM meteorite Murchison has been found to contain more than 70 extraterrestrial amino acids and several other classes of compounds including carboxylic acids, hydroxy carboxylic acids, sulphonic and phosphonic acids, aliphatic, aromatic and polar hydrocarbons, fullerenes, heterocycles as well as carbonyl compounds, alcohols, amines and amides. The organic matter was found to be enriched in deuterium, and distinct organic compounds show isotopic enrichments of carbon and nitrogen relative to terrestrial matter.

  9. Vanadium Compounds as PTP Inhibitors

    Directory of Open Access Journals (Sweden)

    Elsa Irving

    2017-12-01

    Full Text Available Phosphotyrosine signaling is regulated by the opposing actions of protein tyrosine kinases (PTKs and protein tyrosine phosphatases (PTPs. Here we discuss the potential of vanadium derivatives as PTP enzyme inhibitors and metallotherapeutics. We describe how vanadate in the V oxidized state is thought to inhibit PTPs, thus acting as a pan-inhibitor of this enzyme superfamily. We discuss recent developments in the biological and biochemical actions of more complex vanadium derivatives, including decavanadate and in particular the growing number of oxidovanadium compounds with organic ligands. Pre-clinical studies involving these compounds are discussed in the anti-diabetic and anti-cancer contexts. Although in many cases PTP inhibition has been implicated, it is also clear that many such compounds have further biochemical effects in cells. There also remain concerns surrounding off-target toxicities and long-term use of vanadium compounds in vivo in humans, hindering their progress through clinical trials. Despite these current misgivings, interest in these chemicals continues and many believe they could still have therapeutic potential. If so, we argue that this field would benefit from greater focus on improving the delivery and tissue targeting of vanadium compounds in order to minimize off-target toxicities. This may then harness their full therapeutic potential.

  10. The structures of binary compounds

    CERN Document Server

    Hafner, J; Jensen, WB; Majewski, JA; Mathis, K; Villars, P; Vogl, P; de Boer, FR

    1990-01-01

    - Up-to-date compilation of the experimental data on the structures of binary compounds by Villars and colleagues. - Coloured structure maps which order the compounds into their respective structural domains and present for the first time the local co-ordination polyhedra for the 150 most frequently occurring structure types, pedagogically very helpful and useful in the search for new materials with a required crystal structure. - Crystal co-ordination formulas: a flexible notation for the interpretation of solid-state structures by chemist Bill Jensen. - Recent important advances in unders

  11. Catalytic applications of niobium compounds

    International Nuclear Information System (INIS)

    Wright, C.J.; England, W.A.

    1984-01-01

    This article examines the potential uses of niobium, and its compounds, as catalysts in chemical processing. The word potential is deliberately chosen because in 1978 none of the world's twenty-five major catalysts (1) contained niobium. On the other hand, catalysts containing molybdenum and vanadium, neighbors of niobium in the periodic table, realized over 80 x 10 6 of sales in that same year. At the same time many of the patents for niobium catalysts cover applications in which niobium improves the activity of, or substitutes for, molybdenum based compounds. With favorable cost differentials and improvements in understanding, niobium may be able to replace molybdenum in some its traditional uses

  12. Cytotoxic Compounds from Aloe megalacantha

    Directory of Open Access Journals (Sweden)

    Negera Abdissa

    2017-07-01

    Full Text Available Phytochemical investigation of the ethyl acetate extract of the roots of Aloe megalacantha led to the isolation of four new natural products—1,8-dimethoxynepodinol (1, aloesaponarin III (2, 10-O-methylchrysalodin (3 and methyl-26-O-feruloyl-oxyhexacosanate (4—along with ten known compounds. All purified metabolites were characterized by NMR, mass spectrometric analyses and comparison with literature data. The isolates were evaluated for their cytotoxic activity against a human cervix carcinoma cell line KB-3-1 and some of them exhibited good activity, with aloesaponarin II (IC50 = 0.98 µM being the most active compound.

  13. Antiprotozoal compounds from Asparagus africanus

    DEFF Research Database (Denmark)

    Oketch-Rabah, H A; Dossaji, S F; Christensen, S B

    1997-01-01

    Two antiprotozoal compounds have been isolated from the roots of Asparagus africanus Lam. (Liliaceae), a new sapogenin, 2 beta, 12 alpha-dihydroxy-(25R)-spirosta-4,7-dien-3-one (1), which was named muzanzagenin, and the lignan (+)-nyasol (2), (Z)-(+)-4,4'-(3-ethenyl-1-propene-1,3-diyl)-bisphenol.......Two antiprotozoal compounds have been isolated from the roots of Asparagus africanus Lam. (Liliaceae), a new sapogenin, 2 beta, 12 alpha-dihydroxy-(25R)-spirosta-4,7-dien-3-one (1), which was named muzanzagenin, and the lignan (+)-nyasol (2), (Z)-(+)-4,4'-(3-ethenyl-1-propene-1,3-diyl...

  14. Compound

    Indian Academy of Sciences (India)

    Selen Bilgea,*, Zeynel Kılıça, Zeliha Hayvalıa, Tuncer Hökelekb and Serap Safranb. aDepartment of Chemistry, Faculty of Science, Ankara University, Tandoğan, Ankara 06100, Turkey. bDepartment of Physics, Hacettepe University, Beytepe, Ankara 06800, Turkey. e-mail: sbilge@science.ankara.edu.tr. Contents: Tables.

  15. Bacterial degradation of fluorinated compounds

    NARCIS (Netherlands)

    Ferreira, Maria Isabel Martins

    2007-01-01

    Fluorine was produced for the first time by Henri Moissan in 1886, for which he received the Nobel Prize in chemistry in 1906. The unique properties of fluorine have led to the development of fluorine chemistry and numerous synthetic fluorinated compounds have been prepared and tested for different

  16. Moessbauer spectroscopy in neptunium compounds

    Energy Technology Data Exchange (ETDEWEB)

    Nakamoto, Tadahiro; Nakada, Masami; Masaki, Nobuyuki; Saeki, Masakatsu [Japan Atomic Energy Research Inst., Tokyo (Japan)

    1997-03-01

    Moessbauer effects are observable in seven elements of actinides from {sup 232}Th to {sup 247}Cm and Moesbauer spectra have been investigated mainly with {sup 237}Np and {sup 238}U for the reasons of availability and cost of materials. This report describes the fundamental characteristics of Moessbauer spectra of {sup 237}Np and the correlation between the isomer shift and the coordination number of Np(V) compounds. The isomer shifts of Np(V) compounds had a tendency to increase as an increase of coordination number and the isomer shifts of Np(V) compounds showed broad distribution as well as those of Np(VI) but {delta} values of the compounds with the same coordination number were distributed in a narrow range. The {delta} values of Np(VI) complexes with O{sub x} donor set suggest that the Np atom in its hydroxide (NpO{sub 2}(OH){center_dot}4H{sub 2}O)might have pentagonal bipyramidal structure and at least, pentagonal and hexagonal bipyramidal structures might coexist in its acetate and benzoate. Really, such coexistence has been demonstrated in its nitrate, (NpO{sub 2}){sub 2}(NO{sub 3}){sub 2}{center_dot}5H{sub 2}O. (M.N.)

  17. Antifouling Compounds from Marine Macroalgae.

    Science.gov (United States)

    Dahms, Hans Uwe; Dobretsov, Sergey

    2017-08-28

    Marine macroalgae produce a wide variety of biologically-active metabolites that have been developed into commercial products, such as antibiotics, immunosuppressive, anti-inflammatory, cytotoxic agents, and cosmetic products. Many marine algae remain clean over longer periods of time, suggesting their strong antifouling potential. Isolation of biogenic compounds and the determination of their structure could provide leads for the development of environmentally-friendly antifouling paints. Isolated substances with potent antifouling activity belong to fatty acids, lipopeptides, amides, alkaloids, lactones, steroids, terpenoids, and pyrroles. It is unclear as yet to what extent symbiotic microorganisms are involved in the synthesis of these compounds. Algal secondary metabolites have the potential to be produced commercially using genetic and metabolic engineering techniques. This review provides an overview of publications from 2010 to February 2017 about antifouling activity of green, brown, and red algae. Some researchers were focusing on antifouling compounds of brown macroalgae, while metabolites of green algae received less attention. Several studies tested antifouling activity against bacteria, microalgae and invertebrates, but in only a few studies was the quorum sensing inhibitory activity of marine macroalgae tested. Rarely, antifouling compounds from macroalgae were isolated and tested in an ecologically-relevant way.

  18. Students' Categorizations of Organic Compounds

    Science.gov (United States)

    Domin, Daniel S.; Al-Masum, Mohammad; Mensah, John

    2008-01-01

    Categorization is a fundamental psychological ability necessary for problem solving and many other higher-level cognitive tasks. In organic chemistry, students must establish groupings of different chemical compounds in order not only to solve problems, but also to understand course content. Classic models of categorization emphasize similarity as…

  19. Compound Cuing in Free Recall

    Science.gov (United States)

    Lohnas, Lynn J.; Kahana, Michael J.

    2014-01-01

    According to the retrieved context theory of episodic memory, the cue for recall of an item is a weighted sum of recently activated cognitive states, including previously recalled and studied items as well as their associations. We show that this theory predicts there should be compound cuing in free recall. Specifically, the temporal contiguity…

  20. First flush of dissolved compounds

    DEFF Research Database (Denmark)

    Krebs, P.; Holzer, P.; Huisman, J.L.

    1999-01-01

    . It is known that since the wave celerity is higher than the flow velocity of the water, the increase of flow rate induced through rain runoff is recognised earlier at a certain downstream section of the combined sewer than the concentration increase of typical rain-water compounds originating from surface...

  1. Use of labeled compounds in tracer experiments

    International Nuclear Information System (INIS)

    Anon.

    1991-01-01

    The use of radiotracers in research has become common. This chapter looks at some of the underlying assumptions and advantages of labeled compounds: advantages of radiotracers; availability of suitable tracers and labeled compounds; purity of labeled compounds; autoradiolysis; storage of labeled compounds; detection systems for chromatography and electrophoretic methods. 14 refs., 2 figs

  2. Peroxide organometallic compounds and their transformations

    International Nuclear Information System (INIS)

    Razuvaev, G.A.; Brilkina, T.G.

    1976-01-01

    A survey is given experimental works on synthesis and reactions of peroxide organometallic compounds. Reactions have been considered of organometallic compounds with oxygen and organic peroxides which result in formation of both peroxide and non-peroxide products. Possible routes and mechanisms of chemical transformations of peroxide organometallic compounds have been discussed. Reactions of organometallic compounds with oxygen and peroxides have been considered

  3. Response of Bioluminescent Bacteria to Alkyltin Compounds.

    Science.gov (United States)

    1987-12-01

    found in the butyltiri series of compounds; tributyltin was (’Stimes more toxic than dibutyltin and (- 50 times more toxic than (mono)butyltin. When...correlations between compounds, tributyltin was -35 tine more Kicrotxit and fish bLoessays for pure toxic than dibutyltin end -750 times More compounds and...the compounds as a decrease in toxicity (5) tributyltin compounds ea -150 tines more and a method to study synergistic andtoxic than trinethyltia

  4. Bacterial Degradation of Aromatic Compounds

    Directory of Open Access Journals (Sweden)

    Qing X. Li

    2009-01-01

    Full Text Available Aromatic compounds are among the most prevalent and persistent pollutants in the environment. Petroleum-contaminated soil and sediment commonly contain a mixture of polycyclic aromatic hydrocarbons (PAHs and heterocyclic aromatics. Aromatics derived from industrial activities often have functional groups such as alkyls, halogens and nitro groups. Biodegradation is a major mechanism of removal of organic pollutants from a contaminated site. This review focuses on bacterial degradation pathways of selected aromatic compounds. Catabolic pathways of naphthalene, fluorene, phenanthrene, fluoranthene, pyrene, and benzo[a]pyrene are described in detail. Bacterial catabolism of the heterocycles dibenzofuran, carbazole, dibenzothiophene, and dibenzodioxin is discussed. Bacterial catabolism of alkylated PAHs is summarized, followed by a brief discussion of proteomics and metabolomics as powerful tools for elucidation of biodegradation mechanisms.

  5. Alkylation of organic aromatic compounds

    Science.gov (United States)

    Smith, Jr., Lawrence A.

    1989-01-01

    Aromatic compounds are alkylated in a catalytic distillation, wherein the catalyst structure also serves as a distillation component by contacting the aromatic compound with a C.sub.2 to C.sub.10 olefin in the catalyst bed under 0.25 to 50 atmospheres of pressure and at temperatures in the range of 80.degree. C. to 500.degree. C., using as the catalyst a mole sieve characterized as acidic or an acidic cation exchange resin. For example, ethyl benzene is produced by feeding ethylene below the catalyst bed while benzene is conveniently added through the reflux in molar excess to that required to react with ethylene, thereby reacting substantially all of the ethylene and recovering benzene as the principal overhead and ethyl benzene in the bottoms.

  6. Alkylation of organic aromatic compounds

    Science.gov (United States)

    Smith, L.A. Jr.

    1989-07-18

    Aromatic compounds are alkylated in a catalytic distillation, wherein the catalyst structure also serves as a distillation component by contacting the aromatic compound with a C[sub 2] to C[sub 10] olefin in the catalyst bed under 0.25 to 50 atmospheres of pressure and at temperatures in the range of 80 C to 500 C, using as the catalyst a mole sieve characterized as acidic or an acidic cation exchange resin. For example, ethyl benzene is produced by feeding ethylene below the catalyst bed while benzene is conveniently added through the reflux in molar excess to that required to react with ethylene, thereby reacting substantially all of the ethylene and recovering benzene as the principal overhead and ethyl benzene in the bottoms. 1 fig.

  7. The Electrochemistry of Organophosphorus Compounds.

    Science.gov (United States)

    1988-01-20

    of hydrogen on the electrode surface. Mechanistkc views are further developed with the addition of water resulting in the formation of...the exclusive vlide product. Furthermore, carbonvl compounds were added to the electrolyses to react with the electrochemically-generated ylides via...the Wittig reaction. The resulting olefins were found to catalytically isomerize from the Z isomer to the E isomer upon reduction. The role of water

  8. Compound semiconductor optical waveguide switch

    Science.gov (United States)

    Spahn, Olga B.; Sullivan, Charles T.; Garcia, Ernest J.

    2003-06-10

    An optical waveguide switch is disclosed which is formed from III-V compound semiconductors and which has a moveable optical waveguide with a cantilevered portion that can be bent laterally by an integral electrostatic actuator to route an optical signal (i.e. light) between the moveable optical waveguide and one of a plurality of fixed optical waveguides. A plurality of optical waveguide switches can be formed on a common substrate and interconnected to form an optical switching network.

  9. A bitumen compound for pavements

    Energy Technology Data Exchange (ETDEWEB)

    Kanadzava, K.; Simagata, R.

    1982-08-17

    A bitumen compound is proposed which is produced through addition of finely ground coal ash to a bituminous material and subsequent homogenization of the mixture. The following may be used as the bituminous material: solid petroleum bitumen (a penetration of 10 to 150), soft petroleum bitumen (a penetration of 150 to 500), a semioxidized bitumen, a mixture of semioxidized and directly distilled bitumen, bitumen diluted by a petroleum distillate, bituminous mixtures which include rubber, tar, synthetic resins and so on. It is best to use wastes from central thermal electric power plants (TETs), which operate on coal, with a great content of oxides of aluminum, iron and calcium, as the coal ash. The ash is added to the bitumen in a volume of 10 to 40 percent. The compound may include a surfactant (PAV), dispersers, additives which increase the stability to layering and others. The compound is marked by increased resistance to softening in the summer, reduced brittleness at low temperatures and good adhesion to a filler.

  10. Polyfluoroalkyl compounds in landfill leachates

    International Nuclear Information System (INIS)

    Busch, Jan; Ahrens, Lutz; Sturm, Renate; Ebinghaus, Ralf

    2010-01-01

    Polyfluoroalkyl compounds (PFCs) are widely used in industry and consumer products. These products could end up finally in landfills where their leachates are a potential source for PFCs into the aqueous environment. In this study, samples of untreated and treated leachate from 22 landfill sites in Germany were analysed for 43 PFCs. ΣPFC concentrations ranged from 31 to 12,819 ng/L in untreated leachate and 4-8060 ng/L in treated leachate. The dominating compounds in untreated leachate were perfluorobutanoic acid (PFBA) (mean contribution 27%) and perfluorobutane sulfonate (PFBS) (24%). The discharge of PFCs into the aqueous environment depended on the cleaning treatment systems. Membrane treatments (reverse osmosis and nanofiltrations) and activated carbon released lower concentrations of PFCs into the environment than cleaning systems using wet air oxidation or only biological treatment. The mass flows of ΣPFCs into the aqueous environment ranged between 0.08 and 956 mg/day. - The first comprehensive survey of polyfluoroalkyl compounds (PFCs) in landfill leachates.

  11. Studying the propensity of compounds to supersaturate

    DEFF Research Database (Denmark)

    Palmelund, Henrik; Madsen, Cecilie Maria; Christensen, Jakob Plum

    2016-01-01

    Supersaturating drug delivery systems can enhance the oral bioavailability of poorly soluble drug compounds. Supersaturation of such compounds has been studied in many different ways; however, a more standardized method is required. The rationale of choosing suitable concentrations of supersatura......Supersaturating drug delivery systems can enhance the oral bioavailability of poorly soluble drug compounds. Supersaturation of such compounds has been studied in many different ways; however, a more standardized method is required. The rationale of choosing suitable concentrations...... of supersaturation to study has previously been very inconsistent. This makes comparisons between studies and compounds difficult, as the propensity of compounds to supersaturate varies greatly. This study presents a standardized method to study the supersaturation of drug compounds. The method allows, both......, for a ranking of compounds according to their supersaturation propensity and the effectiveness of precipitation inhibitors. The time-concentration profile of supersaturation and precipitation was studied in situ for 4 different concentrations for 6 model compounds (albendazole, aprepitant, danazol, felodipine...

  12. Investigations on organogermanium compounds XII. Reactions of trialkylgermylalkalimetal compounds in hexamethylphosphoric triamide (HMPT) with some inorganic and organic compounds

    NARCIS (Netherlands)

    Bulten, E.J.; Noltes, J.G.

    1971-01-01

    Trialkylgermyl alkali metal compounds in HMPT have been found to be highly reactive nucleophiles. Reactions with some inorganic and organic compounds, such as oxygen, carbon dioxide, inorganic and orgaanic halides, aldehydes, ketones, epoxides and lactones are described. Several new

  13. Volatile flavor compounds in yogurt: a review.

    Science.gov (United States)

    Cheng, Hefa

    2010-11-01

    Considerable knowledge has been accumulated on the volatile compounds contributing to the aroma and flavor of yogurt. This review outlines the production of the major flavor compounds in yogurt fermentation and the analysis techniques, both instrumental and sensory, for quantifying the volatile compounds in yogurt. The volatile compounds that have been identified in plain yogurt are summarized, with the few key aroma compounds described in detail. Most flavor compounds in yogurt are produced from lipolysis of milkfat and microbiological transformations of lactose and citrate. More than 100 volatiles, including carbonyl compounds, alcohols, acids, esters, hydrocarbons, aromatic compounds, sulfur-containing compounds, and heterocyclic compounds, are found in yogurt at low to trace concentrations. Besides lactic acid, acetaldehyde, diacetyl, acetoin, acetone, and 2-butanone contribute most to the typical aroma and flavor of yogurt. Extended storage of yogurt causes off-flavor development, which is mainly attributed to the production of undesired aldehydes and fatty acids during lipid oxidation. Further work on studying the volatile flavor compounds-matrix interactions, flavor release mechanisms, and the synergistic effect of flavor compounds, and on correlating the sensory properties of yogurt with the compositions of volatile flavor compounds are needed to fully elucidate yogurt aroma and flavor.

  14. Nitrogen Compounds in Radiation Chemistry

    International Nuclear Information System (INIS)

    Sims, H.E.; Dey, G.R.; Vaudey, C.E.; Peaucelle, C.; Boucher, J.L.; Toulhoat, N.; Bererd, N.; Koppenol, W.H.; Janata, E.; Dauvois, V.; Durand, D.; Legand, S.; Roujou, J.L.; Doizi, D.; Dannoux, A.; Lamouroux, C.

    2009-01-01

    Water radiolysis in presence of N 2 is probably the topic the most controversy in the field of water radiolysis. It still exists a strong discrepancy between the different reports of ammonia formation by water radiolysis in presence of N 2 and moreover in absence of oxygen there is no agreement on the formation or not of nitrogen oxide like NO 2 - and NO 3 -. These discrepancies come from multiple sources: - the complexity of the reaction mechanisms where nitrogen is involved - the experimental difficulties - and, the irradiation conditions. The aim of the workshop is to capitalize the knowledge needed to go further in simulations and understanding the problems caused (or not) by the presence of nitrogen / water in the environment of radioactive materials. Implications are evident in terms of corrosion, understanding of biological systems and atmospheric chemistry under radiation. Topics covered include experimental and theoretical approaches, application and fundamental researches: - Nitrate and Ammonia in radiation chemistry in nuclear cycle; - NOx in biological systems and atmospheric chemistry; - Formation of Nitrogen compounds in Nuclear installations; - Nitrogen in future power plant projects (Gen4, ITER...) and large particle accelerators. This document gathers the transparencies available for 7 of the presentations given at this workshop. These are: - H.E SIMS: 'Radiation Chemistry of Nitrogen Compounds in Nuclear Power Plant'; - G.R. DEY: 'Nitrogen Compounds Formation in the Radiolysis of Aqueous Solutions'; - C.E. VAUDEY et al.: 'Radiolytic corrosion of nuclear graphite studied with the dedicated gas irradiation cell of IPNL'; - J.L. BOUCHER: 'Roles and biosynthesis of NO in eukaryotes and prokaryotes'; - W.H. KOPPENOL: 'Chemistry of NOx'; - E. JANATA: 'Yield of OH in N 2 O saturated aqueous solution'; - V. DAUVOIS: 'Analytical strategy for the study of radiolysis gases'

  15. DNA modification by alkylating compounds

    Energy Technology Data Exchange (ETDEWEB)

    Kruglyakova, E.E.

    1985-09-01

    Results are given for research on the physico-chemical properties of alkylating compounds - nitroso alkyl ureas (NAU) which possess a broad spectrum of biological activity, such as mutagenic, carcinogenic, and anti-tumor action that is due to the alkylation and carbamoylation of DNA as well as other cellular components. Identified chemical products of NAU interaction with DNA and its components are cited. Structural conversions of a DNA macromolecule resulting from its chemical modification are examined. NAU are used to discuss possible biological consequences of DNA modification. 148 references.

  16. Unpacking Noun-Noun Compounds

    DEFF Research Database (Denmark)

    Smith, Viktor; Barratt, Daniel; Zlatev, Jordan

    2014-01-01

    In two complementary experiments we took an integrated approach to a set of tightly interwoven, yet rarely combined questions concerning the spontaneous interpretation of novel (unfamiliar) noun-noun compounds (NNCs) when encountered in isolation, and possible (re)interpretations of novel as well...... concerning the relations between semantics and pragmatics, as well as system and usage, and psycholinguistic issues concerning the processing of NNCs. New insights and methodological tools are also provided for supporting future best practices in the field of food naming and labelling...

  17. Raman spectra of lithium compounds

    Science.gov (United States)

    Gorelik, V. S.; Bi, Dongxue; Voinov, Y. P.; Vodchits, A. I.; Gorshunov, B. P.; Yurasov, N. I.; Yurasova, I. I.

    2017-11-01

    The paper is devoted to the results of investigating the spontaneous Raman scattering spectra in the lithium compounds crystals in a wide spectral range by the fibre-optic spectroscopy method. We also present the stimulated Raman scattering spectra in the lithium hydroxide and lithium deuteride crystals obtained with the use of powerful laser source. The symmetry properties of the lithium hydroxide, lithium hydroxide monohydrate and lithium deuteride crystals optical modes were analyzed by means of the irreducible representations of the point symmetry groups. We have established the selection rules in the Raman and infrared absorption spectra of LiOH, LiOH·H2O and LiD crystals.

  18. Selenium-containing indolyl compounds

    DEFF Research Database (Denmark)

    Casaril, Angela M; Ignasiak, Marta T; Chuang, Christine Y

    2017-01-01

    materials, including extracellular matrix (ECM) proteins, within the artery wall. Here we investigated the potential of selenium-containing indoles to afford protection against these oxidants, by determining rate constants (k) for their reaction, and quantifying the extent of damage on isolated ECM proteins......Tyr on HCAEC-ECM were also reduced. These data demonstrate that the novel selenium-containing compounds show high reactivity with oxidants and may modulate oxidative and nitrosative damage at sites of inflammation, contributing to a reduction in tissue dysfunction and atherogenesis....

  19. Benzimidazoles: A biologically active compounds

    Directory of Open Access Journals (Sweden)

    Salahuddin

    2017-02-01

    Full Text Available Synthesis of commercially available benzimidazole involves condensation of o-phenylenediamine with formic acid. The most prominent benzimidazole compound in nature is N-riosyldimethylbenzimidazole, which serves as a axial ligand for cobalt in vitamin B12. The benzimidazole and its derivatives play a very important role as a therapeutic agent e.g. antiulcer and anthelmintic drugs. Apart from this the benzimidazole derivatives exhibit pharmacological activities such as antimicrobial, antiviral, anticancer, anti-inflammatory, analgesic, etc. The substituted benzimidazoles are summarized in this review to know about the chemistry as well as pharmacological activities.

  20. Characterisation of selected volatile organic compounds in ...

    African Journals Online (AJOL)

    GCMS), was used to identify volatile compounds at three different temperatures. Fifty volatile compounds, inclusive of 14 acids, 14 alcohols, and 22 esters were identified and quantified in the two brands of indigenous banana beer samples. Only 12 ...

  1. Genetic effects of organic mercury compounds

    Energy Technology Data Exchange (ETDEWEB)

    Ramel, C

    1967-01-01

    Studies on the genetic and developmental effects of organic mercury compounds on lilies, drosophila, and ice were carried out. It was found that chromosomal and developmental abnormalities were correlated with the administration of mercury compounds.

  2. Butyl Rubber: Compound Development and Characterization

    National Research Council Canada - National Science Library

    Sloan, James

    2000-01-01

    ...), to develop the standard butyl rubber compound. The strategy of this work was to compound- and compression-mold high-quality, uniform butyl rubber experimental sheets and to evaluate their cure properties, mechanical properties...

  3. Potent antifouling compounds produced by marine Streptomyces

    KAUST Repository

    Xu, Ying; He, Hongping; Schulz, Stefan; Liu, Xin; Fusetani, Nobushino; Xiong, Hairong; Xiao, Xiang; Qian, Peiyuan

    2010-01-01

    of a marine Streptomyces strain obtained from deep-sea sediments. Antifouling activities of these five compounds and four other structurally-related compounds isolated from a North Sea Streptomyces strain against major fouling organisms were compared

  4. Aroma compounds in fresh cut pomegranate arils.

    Science.gov (United States)

    Little published information exists regarding flavor and aroma compounds in pomegranate (Punica granatum). Although arils have fruity and sweet characteristics, we found no publications describing actual compounds responsible for their typical flavor. Since most commercial usage of pomegranates in...

  5. Two new acetylenic compounds from Asparagus officinalis.

    Science.gov (United States)

    Li, Xue-Mei; Cai, Jin-Long; Wang, Wen-Xiang; Ai, Hong-Lian; Mao, Zi-Chao

    2016-01-01

    Two new acetylenic compounds, asparoffins A (1) and B (2), together with two known compounds, nyasol (3) and 3″-methoxynyasol (4), were isolated from stems of Asparagus officinalis. The structures of two new compounds were elucidated on the basis of detailed spectroscopic analyses (UV, IR, MS, 1D, and 2D NMR). All compounds were evaluated for their cytotoxicities against three human cancer cell lines.

  6. Semiconducting compounds and devices incorporating same

    Science.gov (United States)

    Marks, Tobin J.; Facchetti, Antonio; Boudreault, Pierre-Luc; Miyauchi, Hiroyuki

    2016-01-19

    Disclosed are molecular and polymeric compounds having desirable properties as semiconducting materials. Such compounds can exhibit desirable electronic properties and possess processing advantages including solution-processability and/or good stability. Organic transistor and photovoltaic devices incorporating the present compounds as the active layer exhibit good device performance.

  7. Separation of compounds differing in isotopic composition

    International Nuclear Information System (INIS)

    Sievers, R.E.; Brooks, J.J.

    1976-01-01

    Compounds differing in isotopic composition are separated by introducing a mixture of the compounds into a chromatographic column containing a lanthanide chelate as a stationary phase and eluting from the column a fraction which is at least enriched with one of the compounds of the mixture. 17 claims, no drawings

  8. Separation of compounds differing in isotopic composition

    International Nuclear Information System (INIS)

    Sievers, R.E.; Brooks, J.J.

    1975-01-01

    Compounds differing in isotopic composition are separated by introducing a mixture of the compounds into a chromatographic column containing a lanthanide chelate as a stationary phase and eluting from the column a fraction that is at least enriched with one of the compounds of the mixture. (U.S.)

  9. Thin films of mixed metal compounds

    Science.gov (United States)

    Mickelsen, Reid A.; Chen, Wen S.

    1985-01-01

    A compositionally uniform thin film of a mixed metal compound is formed by simultaneously evaporating a first metal compound and a second metal compound from independent sources. The mean free path between the vapor particles is reduced by a gas and the mixed vapors are deposited uniformly. The invention finds particular utility in forming thin film heterojunction solar cells.

  10. Superconductivity in graphite intercalation compounds

    Energy Technology Data Exchange (ETDEWEB)

    Smith, Robert P. [Cavendish Laboratory, University of Cambridge, Madingley Road, Cambridge CB3 0HE (United Kingdom); Weller, Thomas E.; Howard, Christopher A. [Department of Physics & Astronomy, University College of London, Gower Street, London WCIE 6BT (United Kingdom); Dean, Mark P.M. [Department of Condensed Matter Physics and Materials Science, Brookhaven National Laboratory, Upton, NY 11973 (United States); Rahnejat, Kaveh C. [Department of Physics & Astronomy, University College of London, Gower Street, London WCIE 6BT (United Kingdom); Saxena, Siddharth S. [Cavendish Laboratory, University of Cambridge, Madingley Road, Cambridge CB3 0HE (United Kingdom); Ellerby, Mark, E-mail: mark.ellerby@ucl.ac.uk [Department of Physics & Astronomy, University College of London, Gower Street, London WCIE 6BT (United Kingdom)

    2015-07-15

    Highlights: • Historical background of graphite intercalates. • Superconductivity in graphite intercalates and its place in the field of superconductivity. • Recent developments. • Relevant modeling of superconductivity in graphite intercalates. • Interpretations that pertain and questions that remain. - Abstract: The field of superconductivity in the class of materials known as graphite intercalation compounds has a history dating back to the 1960s (Dresselhaus and Dresselhaus, 1981; Enoki et al., 2003). This paper recontextualizes the field in light of the discovery of superconductivity in CaC{sub 6} and YbC{sub 6} in 2005. In what follows, we outline the crystal structure and electronic structure of these and related compounds. We go on to experiments addressing the superconducting energy gap, lattice dynamics, pressure dependence, and how these relate to theoretical studies. The bulk of the evidence strongly supports a BCS superconducting state. However, important questions remain regarding which electronic states and phonon modes are most important for superconductivity, and whether current theoretical techniques can fully describe the dependence of the superconducting transition temperature on pressure and chemical composition.

  11. Superconductivity in graphite intercalation compounds

    International Nuclear Information System (INIS)

    Smith, Robert P.; Weller, Thomas E.; Howard, Christopher A.; Dean, Mark P.M.; Rahnejat, Kaveh C.; Saxena, Siddharth S.; Ellerby, Mark

    2015-01-01

    Highlights: • Historical background of graphite intercalates. • Superconductivity in graphite intercalates and its place in the field of superconductivity. • Recent developments. • Relevant modeling of superconductivity in graphite intercalates. • Interpretations that pertain and questions that remain. - Abstract: The field of superconductivity in the class of materials known as graphite intercalation compounds has a history dating back to the 1960s (Dresselhaus and Dresselhaus, 1981; Enoki et al., 2003). This paper recontextualizes the field in light of the discovery of superconductivity in CaC 6 and YbC 6 in 2005. In what follows, we outline the crystal structure and electronic structure of these and related compounds. We go on to experiments addressing the superconducting energy gap, lattice dynamics, pressure dependence, and how these relate to theoretical studies. The bulk of the evidence strongly supports a BCS superconducting state. However, important questions remain regarding which electronic states and phonon modes are most important for superconductivity, and whether current theoretical techniques can fully describe the dependence of the superconducting transition temperature on pressure and chemical composition

  12. Antimicrobial compounds of porcine mucosa

    Science.gov (United States)

    Kotenkova, E. A.; Lukinova, E. A.; Fedulova, L. V.

    2017-09-01

    The aim of the study was to investigate porcine oral cavity mucosa (OCM), nasal cavity mucosa (NCM), rectal mucosa (RM) and tongue mucosa (TM) as sources of antimicrobial compounds. Ultrafiltrates with MW >30 kDa, MW 5-30 kDa and MW 30 kDa, the zone of microbial growth inhibition was 7.5 mm, for the MW<5 kDa fraction, it was 7 mm, and for MW 5-30 kDa fraction, it was 4.5 mm. No significant differences were found in high molecular weight proteomic profile, while qualitative and quantitative differences were observed in the medium and low molecular weight areas, especially in OCM and NCM. HPLC showed 221 tissue-specific peptides in OCM, 156 in NCM, 225 in RM, but only 5 in TM. The results observed confirmed porcine mucous tissues as a good source of antimicrobial compounds, which could be an actual alternative for reduction of microbial spoilage of foods.

  13. Antioxidant Phenolic Compounds from Pu-erh Tea

    Directory of Open Access Journals (Sweden)

    Shu Shan Du

    2012-11-01

    Full Text Available Eight compounds were isolated from the water extract of Pu-erh tea and their structures were elucidated by NMR and MS as gallic acid (1, (+-catechin (2, (−-epicatechin (3, (−-epicatechin-3-O-gallate (4, (−-epigallocatechin-3-O-gallate (5, (−-epiafzelechin- 3-O-gallate (6, kaempferol (7, and quercetin (8. Their in vitro antioxidant activities were assessed by the DPPH and ABTS scavenging methods with microplate assays. The relative order of DPPH scavenging capacity for these compounds was compound 8 > compound 7 > compound 1 > compound 6 > compound 4 ≈ compound 5 > compound 2 > VC (reference > compound 3, and that of ABTS scavenging capacity was compound 1 > compound 2 > compound 7 ≈ compound 8 > compound 6 > compound 5 > compound 4 > VC (reference > compound 3. The results showed that these phenolic compounds contributed to the antioxidant activity of Pu-erh tea.

  14. Bioavailability of dietary phenolic compounds: Review

    Directory of Open Access Journals (Sweden)

    Erick Gutiérrez-Grijalva Paul Gutiérrez-Grijalva

    2015-12-01

    Full Text Available Phenolic compounds are ubiquitous in plant-based foods. High dietary intake of fruits, vegetables and cereals is related to a decreased rate in chronic diseases. Phenolic compounds are thought to be responsible, at least in part, for those health effects. Nonetheless, phenolic compounds bioaccessibility and biotransformation is often not considered in these studies; thus, a precise mechanism of action of phenolic compounds is not known. In this review we aim to present a comprehensive knowledge of the metabolic processes through which phenolic compounds go after intake.

  15. The formation of lithium diarylargentates from arylsilver compounds and the corresponding aryllithium compounds

    NARCIS (Netherlands)

    Blenkers, J.; Hofstee, H.K.; Boersma, J.; Kerk, G.J.M. van der

    1979-01-01

    Diarylsilverlithium compounds of the type Ar2AgLi are formed by treating arylsilver compounds with the corresponding aryllithium compounds. Cryoscopy in benzene shows that the Ar2AgLi compounds are associated into dimers. NMR spectroscopic data indicate that only one type of aryl group is present in

  16. Diffusion mechanisms in intermetallic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Larikov, L N [ANU, Inst. Metallofiziki, Kiev (Ukraine)

    1992-08-01

    Recent research aimed at the identification of the principal mechanisms of diffusion in intermetallics is reviewed. In particular, attention is given to the effect of the type of interatomic bond on the contribution of different mechanisms to diffusion in ordered metallic compounds. Results of an analysis of experimental determinations of diffusion coefficients D(A) and D(B) in binary intermetallics (CuZn, Cu3Sn, AuCd, AgZn, AgMg, InSb, GaSb, AlSb, Fe3Al, FeAl, FeAl3, Ni3Al, Ni3Nb, FeSn, FeSn2, Ni3Sn2, Ni3Sn4, Co3Sn2, CoSn, CoSn2, and CoGa) are presented, and it is shown that the D(A)/D(B) ratio differs substantially for different diffusion mechanisms. 60 refs.

  17. Antimicrobial compounds from Alpinia conchigera.

    Science.gov (United States)

    Aziz, Ahmad Nazif; Ibrahim, Halijah; Rosmy Syamsir, Devi; Mohtar, Mastura; Vejayan, Jaya; Awang, Khalijah

    2013-02-13

    The rhizome of Alpinia conchigerahas been used as a condiment in the northern states of Peninsular Malaysia and occasionally in folk medicine in the east coast to treat fungal infections. In some states of Peninsular Malaysia, the rhizomes are consumed as a post-partum medicine and the young shoots are prepared into a vegetable dish. This study aimed to investigate the chemical constituents of the pseudostems and rhizomes of Malaysian Alpinia conchigera and to evaluate the antimicrobial activity of the dichloromethane (DCM) extracts of the pseudostems, rhizomes and the isolated compounds against three selected fungi and five strains of Staphylococcus aureus. The dried and ground pseudostems (0.8kg) and rhizomes (1.0kg) were successively extracted in Soxhlet extractor using n-hexane, dichloromethane (DCM) and methanol. The n-hexane and DCM extracts of the pseudostem and rhizome were subjected to isolation and purification using column chromatography on silica gel using a stepwise gradient system (n-hexane to methanol). Briefly, a serial two fold dilutions of the test materials dissolved in DMSO were prepared prior to addition of 100μl overnight microbial suspension (108 cfu/ml) followed by incubation at 37°C (bacteria) or 26°C (dermatophytes and candida) for 24h. The highest concentration of DMSO remaining after dilution (5%, v/v) caused no inhibition to bacterial/candida/dermatophytes' growth. Antibiotic cycloheximide was used as reference for anticandidal and antidermatophyte comparison while oxacilin was used as reference for antibacterial testing. DMSO served as negative control. Turbidity was taken as indication of growth, thus the lowest concentration which remains clear after macroscopic evaluation was taken as the minimum inhibitory concentration (MIC). The isolation of n-hexane and DCM extracts of the rhizomes and pseudostems of Alpinia conchigera via column chromatography yielded two triterpenes isolated as a mixture of stigmasterol and

  18. Compound induction electric rotating machine

    Energy Technology Data Exchange (ETDEWEB)

    Decesare, D

    1987-07-28

    The present invention generally relates to dynamo-electric machines cabable of operating in a generator mode or in a motor mode and more specifically, to increased efficiency compound interaction AC and/or DC dynamo-electric machines. This patent describes such a machine having a distributed armature winding in a cylindrical rotor wound to form axial and substantially radial winding portions and including permanent and/or electromagnets to couple magnetic flux into the peripheral or circumferential surface of the rotor, and to provide interaction between a magnetic field formed beyond the rotor axial surfaces and the rotor to thereby enhance the total induction of flux into the rotor for improved, more efficient operation. 28 figs.,

  19. METHOD OF RECOVERING URANIUM COMPOUNDS

    Science.gov (United States)

    Poirier, R.H.

    1957-10-29

    S>The recovery of uranium compounds which have been adsorbed on anion exchange resins is discussed. The uranium and thorium-containing residues from monazite processed by alkali hydroxide are separated from solution, and leached with an alkali metal carbonate solution, whereby the uranium and thorium hydrorides are dissolved. The carbonate solution is then passed over an anion exchange resin causing the uranium to be adsorbed while the thorium remains in solution. The uranium may be recovered by contacting the uranium-holding resin with an aqueous ammonium carbonate solution whereby the uranium values are eluted from the resin and then heating the eluate whereby carbon dioxide and ammonia are given off, the pH value of the solution is lowered, and the uranium is precipitated.

  20. Compound verbs in English revisited

    Directory of Open Access Journals (Sweden)

    Alexandra Bagasheva

    2011-05-01

    Full Text Available Compound verbs (CVs raise a number of puzzling questions concerning their classification, their word formation properties, their basic onomasiological function and their transitory status between “relations” and “conceptual-cores”. Using the constructionist framework in the context of a usage-based network model of language, the paper develops a proposal for the classification of CVs and an account of the semantics of word formation niches of CVs created by analogy, which yield unified semantic analyses. A hypothesis is formulated concerning the acategorial nature of CV internal constituents, which naturally accommodates the proposed classification and word formation niche analyses. A hypothesis is formulated in this context concerning the intermediary status of CVs as language-cognition interface units collapsing the “relation-conceptual core” distinction. Conclusions are drawn relating to the transitory nature of most CVs as nonce creations performing a special function in communicative interaction.

  1. Compound verbs in English revisited

    Directory of Open Access Journals (Sweden)

    Alexandra Bagasheva

    2011-01-01

    Full Text Available Compound verbs (CVs raise a number of puzzling questions concerning their classification, their word formation properties, their basic onomasiological function and their transitory status between “relations” and “conceptual-cores”. Using the constructionist framework in the context of a usage-based network model of language, the paper develops a proposal for the classification of CVs and an account of the semantics of word formation niches of CVs created by analogy, which yield unified semantic analyses. A hypothesis is formulated concerning the acategorial nature of CV internal constituents, which naturally accommodates the proposed classification and word formation niche analyses. A hypothesis is formulated in this context concerning the intermediary status of CVs as language-cognition interface units collapsing the “relation-conceptual core” distinction. Conclusions are drawn relating to the transitory nature of most CVs as nonce creations performing a special function in communicative interaction.

  2. The toxicology of uranium compounds

    International Nuclear Information System (INIS)

    Brickner, D.

    1988-11-01

    This review of literature presents and criticises the current knowledge relevant to risk assessment in cases of human exposure to natural uranium compounds due to industrial accidents. The major risk of high uranium exposure is renal-tubular damage which may lead to acute renal insufficiency and death. Radiation damage is not expected in these circumstances. In this review the metabolism of uranium in the body, the health effects and the possible medical treatment are discussed, with an emphasis on relatively large exposure of short duration. The current ICRP lung model does not represent all the factors affecting the kinetics of uranium oxides in the respiratory tract. The significance of these factors, not represented by the model, for risk assessment in such exposures, is not known. The current recommendations for treatment are not scientifically based. Further investigations are urgently needed to enable a rational medical preparadness

  3. Compound process fuel cycle concept

    International Nuclear Information System (INIS)

    Ikegami, Tetsuo

    2005-01-01

    Mass flow of light water reactor spent fuel for a newly proposed nuclear fuel cycle concept 'Compound Process Fuel Cycle' has been studied in order to assess the capacity of the concept for accepting light water reactor spent fuels, taking an example for boiling water reactor mixed oxide spent fuel of 60 GWd/t burn-up and for a fast reactor core of 3 GW thermal output. The acceptable heavy metal of boiling water reactor mixed oxide spent fuel is about 3.7 t/y/reactor while the burn-up of the recycled fuel is about 160 GWd/t and about 1.6 t/y reactor with the recycled fuel burn-up of about 300 GWd/t, in the case of 2 times recycle and 4 times recycle respectively. The compound process fuel cycle concept has such flexibility that it can accept so much light water reactor spent fuels as to suppress the light water reactor spent fuel pile-up if not so high fuel burn-up is expected, and can aim at high fuel burn-up if the light water reactor spent fuel pile-up is not so much. Following distinctive features of the concept have also been revealed. A sort of ideal utilization of boiling water reactor mixed oxide spent fuel might be achieved through this concept, since both plutonium and minor actinide reach equilibrium state beyond 2 times recycle. Changes of the reactivity coefficients during recycles are mild, giving roughly same level of reactivity coefficients as the conventional large scale fast breeder core. Both the radio-activity and the heat generation after 4 year cooling and after 4 times recycle are less than 2.5 times of those of the pre recycle fuel. (author)

  4. Transport measurements in superconductor/Heusler bilayers

    Energy Technology Data Exchange (ETDEWEB)

    Imort, Inga-Mareen; Fabretti, Savio; Thomas, Patrick; Reiss, Guenter; Thomas, Andy [Fakultaet fuer Physik, Universitaet Bielefeld, Bielefeld (Germany)

    2012-07-01

    Superconductivity and ferromagnetism are two contrary phenomena due to their electronic properties. The investigation of superconductor (S)/ferromagnet (F) heterostructures has attracted a lot of scientific interest since they allow studying the interplay between superconductivity and ferromagnetism. Additionally, applications seem possible such as F/S/F spin valves and S/F/S π-junctions. Using transport- and magnetotransport-measurements, we investigate the behavior of the superconducting transition temperature T{sub c} in NbTi/Co{sub 2}FeSi bilayers as a function of different layer thicknesses and for varying magnetic moments of the Co{sub 2}FeSi layers. Using rf-magnetron sputtering, NbTi/Co{sub 2}FeSi bilayers were grown on single-crystalline MgO(001) substrates and in-situ annealed at different temperatures. The layered character of our samples has been tested by X-ray diffraction (XRD) scans. The electronic and magnetic transport measurements have been performed between 3 and 300 K with the magnetic field up to 4 T oriented in the film plane. The dependence of T{sub c} on the NbTi- and Co{sub 2}FeSi-layer thickness enables an estimation of the interface transparency of the NbTi/Co{sub 2}FeSi barrier in the framework of recent theoretical models.

  5. Organic electronic devices using phthalimide compounds

    Science.gov (United States)

    Hassan, Azad M.; Thompson, Mark E.

    2010-09-07

    Organic electronic devices comprising a phthalimide compound. The phthalimide compounds disclosed herein are electron transporters with large HOMO-LUMO gaps, high triplet energies, large reduction potentials, and/or thermal and chemical stability. As such, these phthalimide compounds are suitable for use in any of various organic electronic devices, such as OLEDs and solar cells. In an OLED, the phthalimide compounds may serve various functions, such as a host in the emissive layer, as a hole blocking material, or as an electron transport material. In a solar cell, the phthalimide compounds may serve various functions, such as an exciton blocking material. Various examples of phthalimide compounds which may be suitable for use in the present invention are disclosed.

  6. Insecticidal Activity of Cyanohydrin and Monoterpenoid Compounds

    Directory of Open Access Journals (Sweden)

    Joel R. Coats

    2000-04-01

    Full Text Available The insecticidal activities of several cyanohydrins, cyanohydrin esters and monoterpenoid esters (including three monoterpenoid esters of a cyanohydrin were evaluated. Topical toxicity to Musca domestica L. adults was examined, and testing of many compounds at 100 mg/fly resulted in 100% mortality. Topical LD50 values of four compounds for M. domestica were calculated. Testing of many of the reported compounds to brine shrimp (Artemia franciscana Kellog resulted in 100% mortality at 10 ppm, and two compounds caused 100% mortality at 1 ppm. Aquatic LC50 values were calculated for five compounds for larvae of the yellow fever mosquito (Aedes aegypti (L.. Monoterpenoid esters were among the most toxic compounds tested in topical and aquatic bioassays.

  7. The content of compound conditioning.

    Science.gov (United States)

    Harris, Justin A; Andrew, Benjamin J; Livesey, Evan J

    2012-04-01

    In three experiments using Pavlovian conditioning of magazine approach, rats were trained with a compound stimulus, AB, and were concurrently trained with stimulus B on its own. The reinforcement rate of B, rB, was either 1/2, 2/3, or 2/5 of rAB. After extended training, the conditioning strength of A was assessed using probe trials in which A was presented alone. Responding during A was compared with that during AB, B, and a third stimulus, C, for which rC = rAB - rB. In each experiment, the rats' response rate during A was almost identical to that during C (and during B, when rB = 1/2rAB). This suggests that, during AB conditioning, the rats had learned about rA as being equal to [rAB - rB], and implies that the content of their learning was a linear function of r. The findings provide strong support for rate-based models of conditioning (e.g., Gallistel & Gibbon, 2000). They are also consistent with the associative account of learning defined in the Rescorla and Wagner (1972) model, but only if the learning rate during reinforcement equals that during nonreinforcement. (c) 2012 APA, all rights reserved.

  8. Technetium complexation by macrocyclic compounds

    International Nuclear Information System (INIS)

    Li Fan Yu.

    1983-01-01

    Research in nuclear medicine are directed towards the labelling of biological molecules, however, sup(99m)Tc does not show sufficient affinity for these molecules. The aim of this study was to evaluate the ability of macrocyclic compounds to bind strongly technetium in order to be used as complexation intermediate. The reducing agents used were a stannous complex and sodium dithionite. Cryptates and polyesters are not good complexing agents. They form two complexes: a 2:1 sandwich complex or 3:2 and a 1:1 complex. Cyclams are good complexing agents for technetium their complexations strength was determined by competition with pyrophosphate, gluconate and DTPA. Using the method of ligand exchange, the oxidation state of technetium in the Tc-cyclam complex was IV or V. They are 1:1 cationic complexes, the complex charge is +1. The biodistribution in rats of labelling solutions containing (cyclam 14 ane N 4 ) C 12 H 25 shows a good urinary excretion without intoxication risks [fr

  9. Properties of tritium and its compounds

    International Nuclear Information System (INIS)

    Belovodskij, L.F.; Gaevoj, V.K.; Grishmanovskij, V.I.

    1985-01-01

    Ways of tritium preparation and different aspects of its application are considered. Physicochemical properties of this isotope and some compounds of it - tritium oxides, lithium, titanium, zirconium, uranium tritides, tritium organic compounds - are discussed. In particular, diffusion of tritium and its oxide through different materials, tritium oxidation processes, decomposition of tritium-containing compounds under the action of self-radiation are considered. Main radiobiological tritium properties are described

  10. Complex fragment emission from hot compound nuclei

    International Nuclear Information System (INIS)

    Moretto, L.G.

    1986-03-01

    The experimental evidence for compound nucleus emission of complex fragments at low energies is used to interpret the emission of the same fragments at higher energies. The resulting experimental picture is that of highly excited compound nuclei formed in incomplete fusion processes which decay statistically. In particular, complex fragments appear to be produced mostly through compound nucleus decay. In the appendix a geometric-kinematic theory for incomplete fusion and the associated momentum transfer is outlined. 10 refs., 19 figs

  11. Antibacterial Compounds from Red Seaweeds (Rhodophyta)

    OpenAIRE

    Noer Kasanah; Triyanto Triyanto; Drajad Sarwo Seto; Windi Amelia; Alim Isnansetyo

    2015-01-01

    Seaweeds produce great variety of metabolites benefit for human. Red seaweeds (Rhodophyta) are well known as producer of phycocolloids such agar, agarose, carragenan and great variety of secondary metabolites. This review discusses the red algal secondary metabolites with antibacterial activity. The chemical constituents of red algae are steroid, terpenoid, acetogenin and dominated by halogenated compounds mainly brominated compounds. Novel compounds with intriguing skeleton are also reported...

  12. Nitrogen compounds behavior under irradiation environment

    International Nuclear Information System (INIS)

    Ichikawa, Nagayoshi; Takagi, Junichi; Yotsuyanagi, Tadasu

    1991-01-01

    Laboratory experiments were performed to evaluate nitrogen compounds behavior in liquid phase under irradiation environments. Nitrogen compounds take a chemical form of ammonium ion under reducing condition by gamma irradiation, whereas ammonium ions are rather stable even under oxidizing conditions. Key reactions were pointed out and their reaction rate constants and activation energies were estimated through computer code simulation. A reaction scheme for nitrogen compounds including protonate reaction was proposed. (author)

  13. Technetium compounds and their field of application

    International Nuclear Information System (INIS)

    Zaitseva, L.L.; Velichko, A.V.; Vinogradov, I.V.

    1988-02-01

    This chapter reviews the different applications of technetium and technetium compounds in catalysis, corrosion inhibition, superconductivity of technetium alloys, diagnostic techniques, radioisotope generators and radiopharmaceuticals. 649 refs [fr

  14. Diazo Compounds: Versatile Tools for Chemical Biology.

    Science.gov (United States)

    Mix, Kalie A; Aronoff, Matthew R; Raines, Ronald T

    2016-12-16

    Diazo groups have broad and tunable reactivity. That and other attributes endow diazo compounds with the potential to be valuable reagents for chemical biologists. The presence of diazo groups in natural products underscores their metabolic stability and anticipates their utility in a biological context. The chemoselectivity of diazo groups, even in the presence of azido groups, presents many opportunities. Already, diazo compounds have served as chemical probes and elicited novel modifications of proteins and nucleic acids. Here, we review advances that have facilitated the chemical synthesis of diazo compounds, and we highlight applications of diazo compounds in the detection and modification of biomolecules.

  15. Molecular mechanism of radiosensitization by nitro compounds

    International Nuclear Information System (INIS)

    Kagiya, T.; Wada, T.; Nishimoto, S.I.

    1984-01-01

    In this chapter a molecular mechanism of radiosensitization by electron-affinic nitro compounds is discussed, mainly on the basis of the results of the radiation-induced chemical studies of DNA-related compounds in aqueous solutions. In Section II the general aspects of the radiation chemistry of organic compounds in the absence and presence of oxygen in aqueous solution are shown in order to demonstrate characteristic differences between radiation chemical reactions in hypoxic and oxic cells. The effects of nitro compounds on the radiolysis yields of DNA-related compounds in aqueous solutions are described in Section III. In Section IV the retardation effects of misonidazole on the radiation chemical processes of DNA-related compounds are shown along with the reaction characteristics of misonidazole with hydroxyl radical ( . OH) and hydrated electron (e/sub aq/-bar) produced by the radiolysis of water. The promotion of radiation-induced oxidation of thymine into thymine glycol (TG) by nitro radiosensitizers in deoxygenated solution and the relations between the activity of nitro compound for the thymine glycol formation and the enhancement activity measured in vitro are described in Section V. Finally, the protection against radiation-induced damage of thymine by a sulfhydryl compound of glutathione and the ability of electron-affinic compounds to decompose the intracellular radioprotector are described in Section VI

  16. Microbial growth on C1 compounds: proceedings

    International Nuclear Information System (INIS)

    Crawford, R.L.; Hanson, R.S.

    1984-01-01

    This book contains individual papers prepared for the 4th International Symposium on Microbial Growth on One Carbon Compounds. Individual reports were abstracted and indexed for EDB. Topics presented were in the areas of the physiology and biochemistry of autotraps, physiology and biochemistry of methylotrophs and methanotrops, physiology and biochemistry of methanogens, genetics of microbes that use C 1 compounds, taxonomy and ecology of microbes tht grow on C 1 compounds, applied aspects of microbes that grow on C 1 compounds, and new directions in C 1 metabolism. (DT)

  17. Potent antifouling compounds produced by marine Streptomyces

    KAUST Repository

    Xu, Ying

    2010-02-01

    Biofouling causes huge economic loss and a recent global ban on organotin compounds as antifouling agents has increased the need for safe and effective antifouling compounds. Five structurally similar compounds were isolated from the crude extract of a marine Streptomyces strain obtained from deep-sea sediments. Antifouling activities of these five compounds and four other structurally-related compounds isolated from a North Sea Streptomyces strain against major fouling organisms were compared to probe structure-activity relationships of compounds. The functional moiety responsible for antifouling activity lies in the 2-furanone ring and that the lipophilicity of compounds substantially affects their antifouling activities. Based on these findings, a compound with a straight alkyl side-chain was synthesized and proved itself as a very effective non-toxic, anti-larval settlement agent against three major fouling organisms. The strong antifouling activity, relatively low toxicity, and simple structures of these compounds make them promising candidates for new antifouling additives. © 2009 Elsevier Ltd. All rights reserved.

  18. Neurotoxicity of fragrance compounds: A review.

    Science.gov (United States)

    Pinkas, Adi; Gonçalves, Cinara Ludvig; Aschner, Michael

    2017-10-01

    Fragrance compounds are chemicals belonging to one of several families, which are used frequently and globally in cosmetics, household products, foods and beverages. A complete list of such compounds is rarely found on the ingredients-list of such products, as "fragrance mixtures" are defined as "trade secrets" and thus protected by law. While some information regarding the general toxicity of some of these compounds is available, their neurotoxicity is known to a lesser extent. Here, we discuss the prevalence and neurotoxicity of fragrance compounds belonging to the three most common groups: phthalates, synthetic musks and chemical sensitizers. Copyright © 2017 Elsevier Inc. All rights reserved.

  19. Four new compounds from Imperata cylindrica.

    Science.gov (United States)

    Liu, Xuan; Zhang, Bin-Feng; Yang, Li; Chou, Gui-Xin; Wang, Zheng-Tao

    2014-04-01

    Four new compounds, impecylone (1), deacetylimpecyloside (2), seguinoside K 4-methylether (3) and impecylenolide (4), were isolated from Imperata cylindrica along with two known compounds, impecyloside (5) and seguinoside K (6). Their structures were elucidated mainly by spectroscopic analyses including 1D- and 2D-NMR techniques, and the absolute configuration of 1 was confirmed by X-ray diffraction analysis. In calcium assay, the result indicated that compounds 1, 2, 4 and 5 cannot obviously inhibit the calcium peak value compared with the negative control, and suggested that the four compounds could not have anti-inflammatory activity.

  20. Prioritizing pesticide compounds for analytical methods development

    Science.gov (United States)

    Norman, Julia E.; Kuivila, Kathryn; Nowell, Lisa H.

    2012-01-01

    The U.S. Geological Survey (USGS) has a periodic need to re-evaluate pesticide compounds in terms of priorities for inclusion in monitoring and studies and, thus, must also assess the current analytical capabilities for pesticide detection. To meet this need, a strategy has been developed to prioritize pesticides and degradates for analytical methods development. Screening procedures were developed to separately prioritize pesticide compounds in water and sediment. The procedures evaluate pesticide compounds in existing USGS analytical methods for water and sediment and compounds for which recent agricultural-use information was available. Measured occurrence (detection frequency and concentrations) in water and sediment, predicted concentrations in water and predicted likelihood of occurrence in sediment, potential toxicity to aquatic life or humans, and priorities of other agencies or organizations, regulatory or otherwise, were considered. Several existing strategies for prioritizing chemicals for various purposes were reviewed, including those that identify and prioritize persistent, bioaccumulative, and toxic compounds, and those that determine candidates for future regulation of drinking-water contaminants. The systematic procedures developed and used in this study rely on concepts common to many previously established strategies. The evaluation of pesticide compounds resulted in the classification of compounds into three groups: Tier 1 for high priority compounds, Tier 2 for moderate priority compounds, and Tier 3 for low priority compounds. For water, a total of 247 pesticide compounds were classified as Tier 1 and, thus, are high priority for inclusion in analytical methods for monitoring and studies. Of these, about three-quarters are included in some USGS analytical method; however, many of these compounds are included on research methods that are expensive and for which there are few data on environmental samples. The remaining quarter of Tier 1

  1. Medicinal Uses of Inorganic Compounds - 2

    Indian Academy of Sciences (India)

    In the first part of this article, we described medicinal uses of inorganic compounds relating to cancer care, infection and diabetic control, neurological, cardiovascular and in- flammatory diseases. This article contains further infor- mation on the medicinal uses of inorganic compounds as therapeutic and diagnostic in ...

  2. Lattice anisotropy in uranium ternary compounds

    DEFF Research Database (Denmark)

    Maskova, S.; Adamska, A.M.; Havela, L.

    2012-01-01

    Several U-based intermetallic compounds (UCoGe, UNiGe with the TiNiSi structure type and UNiAl with the ZrNiAl structure type) and their hydrides were studied from the point of view of compressibility and thermal expansion. Confronted with existing data for the compounds with the ZrNiAl structure...

  3. Bioautography indicates the multiplicity of antifungal compounds ...

    African Journals Online (AJOL)

    AJB SERVER

    2006-09-18

    Sep 18, 2006 ... 199 active compounds, followed by methanol (189) and hexane (73). This difference is apparently not related to the sectional division of the species (Carr, 1988). Comparison of eluent systems. Lastly we determined which TLC solvent system separa- ted the highest number of active compounds (Table 27).

  4. Compound sums and their applications in finance

    NARCIS (Netherlands)

    R. Helmers (Roelof); B. Tarigan

    2003-01-01

    textabstractCompound sums arise frequently in insurance (total claim size in a portfolio) and in accountancy (total error amount in audit populations). As the normal approximation for compound sums usually performs very badly, one may look for better methods for approximating the distribution of a

  5. Preparation and properties of compound Arnebiae radix ...

    African Journals Online (AJOL)

    The aim of this study was to prepare a compound Arnebiae radix microemulsion gel for transdermal delivery system and evaluate its characteristics. Materials and Methods: Based on ... previous used formulations. Keywords: Compound Arnebiae radix oil, microemulsion gel, pseudo-ternary phase diagram, characterization ...

  6. Comparative analysis of technical efficiencies between compound ...

    African Journals Online (AJOL)

    This study was designed to compare the level of technical efficiency in the compound and non compound farms in Imo state. A multi-stage random sampling technique was used to select 120 food crop farmers from two out of the three agricultural zones in Imo state. Using the Chow (1960) analysis of covariance technique ...

  7. Health promoting compounds in vegetables and fruits:

    DEFF Research Database (Denmark)

    Brandt, K.; Christensen, L.P.; Hansen-Møller, J.

    2004-01-01

    Vegetables contain unknown compounds with important health promoting effect. The described project defined and tested a two-step screening procedure for identification of such compounds. Step 1 is initial screening according to three criteria: 1.1, chemically reactive functional groups; 1...

  8. Improvements in or relating to compounds

    International Nuclear Information System (INIS)

    Woodhead, J.L.

    1983-01-01

    The invention provides a process for the preparation of a dispersible product containing a cerium compound which comprises heating a cerium (IV) oxide hydrate in the presence of a salt to cause deaggregation of aggregated crystallites in the cerium (IV) oxide hydrate and produce a dispersible product containing a cerium compound. (author)

  9. Organic halogen compounds in the environment

    International Nuclear Information System (INIS)

    1979-07-01

    There are 20 research reports on selected problems concerning the analysis, the occurence, and the behaviour of a wide spectrum of organic halogen compounds. The work was carried out in the framework of the project 'Organic Halogen Compounds in the Environment', financed by the BMFT, between 1975 and 1978. (orig.) [de

  10. Extraction, Isolation And Characterization Of Bioactive Compounds ...

    African Journals Online (AJOL)

    Natural products from medicinal plants, either as pure compounds or as standardized extracts, provide unlimited opportunities for new drug leads because of the ... The analysis of bioactive compounds present in the plant extracts involving the applications of common phytochemical screening assays, chromatographic ...

  11. Lichens as source of versatile bioactive compounds

    Directory of Open Access Journals (Sweden)

    Mitrović, T.

    2011-09-01

    Full Text Available Lichens represent unique symbiosis of fungi (mycobionts and algae (photobionts. Living in extreme conditions they developed various compounds to survive. Many of these original compounds have proven biological activities (antibiotic, antimycotic, antiviral, antitumor, antioxidant, etc . This paper is synthesis of currently known data about lichens extracts and their potential use in pharmaceutics and medicine.

  12. Bis(1,3-dithiole) Compounds

    DEFF Research Database (Denmark)

    Andersen, Jan Rud; Engler, E. M.; Green, D. C.

    1977-01-01

    There is described the preparation of bis-1,3-dithiole compounds (I) which are key synthetic precursors for the preparation of new polymeric metal bis(dithiolene) (i.e., II) and tetrathiafulvalene compounds (i.e., III): (Image Omitted)...

  13. Sulfamides in the synthesis of heterocyclic compounds

    International Nuclear Information System (INIS)

    Gazieva, Galina A; Kravchenko, Angelina N; Lebedev, Oleg V

    2000-01-01

    A comparative analysis of the structures and physicochemical properties of sulfamides and ureas has been performed. New procedures for the synthesis of heterocyclic compounds containing the sulfamide fragment are surveyed and the properties of the resulting compounds are described. The bibliography includes 112 references.

  14. Bioactive compounds in whole grain wheat

    NARCIS (Netherlands)

    Mateo Anson, N.

    2010-01-01

    Bread can be healthier! Consuming whole-grain foods can prevent cardiovascular diseases, type-2 diabetes and metabolic syndrome. This is due to bioactive compounds in whole grain, such as antioxidants and anti-inflammatory compounds. We found that the different fractions of a wheat grain vary much

  15. Pickpocket compounds from Latin to Romance

    NARCIS (Netherlands)

    Nielsen Whitehead, Benedicte

    2012-01-01

    This thesis discusses the development in Proto–Indo–European, Latin and Romance of a word–formation pattern which the most adequate terminology in use dubs ‘verbal government compounds with a governing first member’; I use the shorthand ‘pickpocket compounds’. The first member of such compounds

  16. Semantics vs Pragmatics of a Compound Word

    Science.gov (United States)

    Smirnova, Elena A.; Biktemirova, Ella I.; Davletbaeva, Diana N.

    2016-01-01

    This paper is devoted to the study of correlation between semantic and pragmatic potential of a compound word, which functions in informal speech, and the mechanisms of secondary nomination, which realizes the potential of semantic-pragmatic features of colloquial compounds. The relevance and the choice of the research question is based on the…

  17. Antimicrobial susceptibility assessment of compound from ...

    African Journals Online (AJOL)

    Ethyl acetate extract of the culture filtrate of Aspergillus fumigatus on chromatographic analysis has led to the isolation of the compound, AF-1 which exhibited a significant in vitro antimicrobial activity against the tested pathogenic microorganism. The structure of the isolated compound, AF-1 was identified as ...

  18. Perfluorinated Compounds: Emerging POPs with Potential Immunotoxicity

    Science.gov (United States)

    Perfluorinated compounds (PFCs) have been recognized as an important class of environmental contaminants commonly detected in blood samples of both wildlife and humans. These compounds have been in use for more than 60 years as surface treatment chemicals, polymerization aids, an...

  19. Intercalated compounds of niobium and tantalum dicalcogenides

    International Nuclear Information System (INIS)

    Wypych, F.

    1988-01-01

    The synthesis of niobium and tantalum lamellar compounds and its intercalated derivatives is described. The intercalated compounds with lithium, with alkaline metal and with metals of the first-row transition are studied, characterized by X-ray diffraction. (C.G.C.) [pt

  20. Genetic effects of organic mercury compounds

    Energy Technology Data Exchange (ETDEWEB)

    Ramel, C

    1967-01-01

    Organic mercury compounds have a c-mitotic effect on plant cells that cause polyploidi. Studies were performed on Allium root cells. These investigations involved methyl mercury dicyandiamide, methyl mercury hydroxide, and phenyl mercury hydroxide. The lowest concentration necessary for a cytologically observable effect was about 0.05 ppM Hg for the methyl compounds. For the phenyl compound, the value was lower. Experiments were performed on Drosophila melanogaster. The question was whether the mercury would reach the gonads. Experimental data with mercury treated larvae indicated a chromosome disjunction. Data indicated a preferential segregation at the meiotic division might be involved. Experiments are being performed on mice inbred (CBA) in order to investigate teratogenic effects and dominant lethality caused by organic mercury compounds. The mutagenic effects of these compounds are studied on Neurospora Drosophila. No conclusive data is now available.

  1. Integrated modelling of two xenobiotic organic compounds

    DEFF Research Database (Denmark)

    Lindblom, Erik Ulfson; Gernaey, K.V.; Henze, Mogens

    2006-01-01

    This paper presents a dynamic mathematical model that describes the fate and transport of two selected xenobiotic organic compounds (XOCs) in a simplified representation. of an integrated urban wastewater system. A simulation study, where the xenobiotics bisphenol A and pyrene are used as reference...... compounds, is carried out. Sorption and specific biological degradation processes are integrated with standardised water process models to model the fate of both compounds. Simulated mass flows of the two compounds during one dry weather day and one wet weather day are compared for realistic influent flow...... rate and concentration profiles. The wet weather day induces resuspension of stored sediments, which increases the pollutant load on the downstream system. The potential of the model to elucidate important phenomena related to origin and fate of the model compounds is demonstrated....

  2. New uranium compounds preparation and use as catalyst for hydrogenation of non-saturated organic compounds

    International Nuclear Information System (INIS)

    Arnaudet, L.; Folcher, G.

    1985-01-01

    Preparation of new organic uranium compounds and their use as catalysts for hydrogenation of non-saturated organic compounds are described. These compounds include Uranium III, a cyclopentadienic group, an alkyl group and an acetylenic derivative C 6 H 5 C triple bonds CR fixed by a π bond. Catalysts can be prepared with depleted uanium for hydrogenation of olefins for example [fr

  3. Spin polarization in rare earth intermetallic compounds

    International Nuclear Information System (INIS)

    Steenwijk, F.J. van

    1976-01-01

    In this thesis the results of Moessbauer experiments performed on a series of intermetallic compounds of europium and gadolinium are reported. For each of these compounds the magnetic hyperfine field, the electric field gradient at the nuclear site and the isomer shift were determined. For most of the compounds the magnetic ordering temperature was also measured. For some of the europium compounds (e.g. EuAu 5 , EuAg 5 , and EuCu 5 ) it could be derived from the measurements that the easy direction of magnetization falls along the crystallographic c-axis. In a number of compounds (e.g. EuCu 5 , EuZn 5 , EuAu 2 and GdCu 5 ), the various contributions to the magnetic hyperfine field were disentangled by the investigation of suitable pseudobinary compounds that are dilute in Eu. The neighbour contribution Hsub(N) and the paramagnetic Curie temperature thetasub(p) were compared with each other in terms of the RKKY model for EuCu 5 and GdCu 5 . Since the correspondence was found to be poor it was concluded that the magnetic behaviour in these compounds cannot be described by a simple free electron picture as is the basis for the RKKY model

  4. Aroma compounds in sweet whey powder.

    Science.gov (United States)

    Mahajan, S S; Goddik, L; Qian, M C

    2004-12-01

    Aroma compounds in sweet whey powder were investigated in this study. Volatiles were isolated by solvent extraction followed by solvent-assisted flavor evaporation. Fractionation was used to separate acidic from nonacidic volatiles. Gas chromatography/mass spectrometry and gas chromatography/olfactometry were used for the identification of aroma compounds. Osme methodology was applied to assess the relative importance of each aroma compound. The most aroma-intense free fatty acids detected were acetic, propanoic, butanoic, hexanoic, heptanoic, octanoic, decanoic, dodecanoic, and 9-decenoic acids. The most aroma-intense nonacidic compounds detected were hexanal, heptanal, nonanal, phenylacetaldehyde, 1-octen-3-one, methional, 2,6-dimethylpyrazine, 2,5-dimethylpyrazine, 2,3-dimethylpyrazine, 2,3,5-trimethylpyrazine, furfuryl alcohol, p-cresol, 2-acetylpyrrole, maltol, furaneol, and several lactones. This study suggested that the aroma of whey powder could comprise compounds originating from milk, compounds generated by the starter culture during cheese making, and compounds formed during the manufacturing process of whey powder.

  5. Phenolic compounds in Ross Sea water

    Science.gov (United States)

    Zangrando, Roberta; Barbaro, Elena; Gambaro, Andrea; Barbante, Carlo; Corami, Fabiana; Kehrwald, Natalie; Capodaglio, Gabriele

    2016-04-01

    Phenolic compounds are semi-volatile organic compounds produced during biomass burning and lignin degradation in water. In atmospheric and paleoclimatic ice cores studies, these compounds are used as biomarkers of wood combustion and supply information on the type of combusted biomass. Phenolic compounds are therefore indicators of paleoclimatic interest. Recent studies of Antarctic aerosols highlighted that phenolic compounds in Antarctica are not exclusively attributable to biomass burning but also derive from marine sources. In order to study the marine contribution to aerosols we developed an analytical method to determine the concentration of vanillic acid, vanillin, p-coumaric acid, syringic acid, isovanillic acid, homovanillic acid, syringaldehyde, acetosyringone and acetovanillone present in dissolved and particle phases in Sea Ross waters using HPLC-MS/MS. The analytical method was validated and used to quantify phenolic compounds in 28 sea water samples collected during a 2012 Ross Sea R/V cruise. The observed compounds were vanillic acid, vanillin, acetovanillone and p-coumaric acid with concentrations in the ng/L range. Higher concentrations of analytes were present in the dissolved phase than in the particle phase. Sample concentrations were greatest in the coastal, surficial and less saline Ross Sea waters near Victoria Land.

  6. IRIS Toxicological Review of Thallium and Compounds ...

    Science.gov (United States)

    Thallium compounds are used in the semiconductor industry, the manufacture of optic lenses and low-melting glass, low-temperature thermometers, alloys, electronic devices, mercury lamps, fireworks, and imitation germs, and clinically as an imaging agent in the diagnosis of certain tumors. EPA's assessment of noncancer health effects and carcinogenic potential of thallium compounds was last prepared and added to the IRIS database between 1988 and 1990. The IRIS program is preparing an assessment that will incorporate current health effects information available for thallium and compounds, and current risk assessment methods. The IRIS assessment for thallium compounds will consist of a Toxicological Review and IRIS Summary. The Toxicological Review is a critical review of the physiochemical and toxicokinetic properties of a chemical, and its toxicity in humans and experimental systems. The assessment will present reference values for the noncancer effects of thallium compounds (RfD and Rfc), and a cancer assessment. The Toxicological Review and IRIS Summary have been subject to Agency review, Interagency review, and external scientific peer review. The final product will reflect the Agency opinion on the overall toxicity of thallium and compounds. EPA is undertaking an Integrated Risk Information System (IRIS) health assessment for thallium and compounds. IRIS is an EPA database containing Agency scientific positions on potential adverse human health effec

  7. Biodegradable compounds: Rheological, mechanical and thermal properties

    Science.gov (United States)

    Nobile, Maria Rossella; Lucia, G.; Santella, M.; Malinconico, M.; Cerruti, P.; Pantani, R.

    2015-12-01

    Recently great attention from industry has been focused on biodegradable polyesters derived from renewable resources. In particular, PLA has attracted great interest due to its high strength and high modulus and a good biocompatibility, however its brittleness and low heat distortion temperature (HDT) restrict its wide application. On the other hand, Poly(butylene succinate) (PBS) is a biodegradable polymer with a low tensile modulus but characterized by a high flexibility, excellent impact strength, good thermal and chemical resistance. In this work the two aliphatic biodegradable polyesters PBS and PLA were selected with the aim to obtain a biodegradable material for the industry of plastic cups and plates. PBS was also blended with a thermoplastic starch. Talc was also added to the compounds because of its low cost and its effectiveness in increasing the modulus and the HDT of polymers. The compounds were obtained by melt compounding in a single screw extruder and the rheological, mechanical and thermal properties were investigated. The properties of the two compounds were compared and it was found that the values of the tensile modulus and elongation at break measured for the PBS/PLA/Talc compound make it interesting for the production of disposable plates and cups. In terms of thermal resistance the compounds have HDTs high enough to contain hot food or beverages. The PLA/PBS/Talc compound can be, then, considered as biodegradable substitute for polystyrene for the production of disposable plates and cups for hot food and beverages.

  8. Molecular basis of biodegradation of chloroaromatic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Sangodkar, U M.X.; Aldrich, T L; Haugland, R A; Johnson, J; Rothmel, R K; Chakrabarty, A M [Illinois Univ., Chicago (USA). Coll. of Medicine; Chapman, P J [Environmental Protection Agency, Gulf Breeze, FL (USA). Microbial Ecology and Biotechnology

    1989-01-01

    Chlorinated aromatic hydrocarbons are widely used in industry and agriculture, and comprise the bulk of environmental pollutants. Although simple aromatic compounds are biodegradable by a variety of degradative pathways, their halogenated counterparts are more resistant to bacterial attack and often necessitate evolution of novel pathways. An understanding of such evolutionary processes is essential for developing genetically improved strains capable of mineralizing highly chlorinated compounds. This article provides an overview of the genetic aspects of dissimilation of chloroaromatic compounds and discusses the potential of gene manipulation to promote enhanced evolution of the degradation pathways. (orig.).

  9. Endocannabinoids, Related Compounds and Their Metabolic Routes

    Directory of Open Access Journals (Sweden)

    Filomena Fezza

    2014-10-01

    Full Text Available Endocannabinoids are lipid mediators able to bind to and activate cannabinoid receptors, the primary molecular targets responsible for the pharmacological effects of the Δ9-tetrahydrocannabinol. These bioactive lipids belong mainly to two classes of compounds: N-acylethanolamines and acylesters, being N-arachidonoylethanolamine (AEA and 2-arachidonoylglycerol (2-AG, respectively, their main representatives. During the last twenty years, an ever growing number of fatty acid derivatives (endocannabinoids and endocannabinoid-like compounds have been discovered and their activities biological is the subject of intense investigations. Here, the most recent advances, from a therapeutic point of view, on endocannabinoids, related compounds, and their metabolic routes will be reviewed.

  10. Antibacterial Compounds from Red Seaweeds (Rhodophyta

    Directory of Open Access Journals (Sweden)

    Noer Kasanah

    2015-07-01

    Full Text Available Seaweeds produce great variety of metabolites benefit for human. Red seaweeds (Rhodophyta are well known as producer of phycocolloids such agar, agarose, carragenan and great variety of secondary metabolites. This review discusses the red algal secondary metabolites with antibacterial activity. The chemical constituents of red algae are steroid, terpenoid, acetogenin and dominated by halogenated compounds mainly brominated compounds. Novel compounds with intriguing skeleton are also reported such as bromophycolides and neurymenolides. In summary, red seaweeds are potential sources for antibacterial agents and can serve as lead in synthesis of new natural medicines.

  11. Degradation of based EPDM dielectric compounds

    International Nuclear Information System (INIS)

    Galembeck, F.

    1988-01-01

    The stability of an EPDM compound used as power cables insulation was studied under various conditions of thermal stress. Changes in the dielectric and tensile strenght of the samples were found after the aging. Samples of the EPDM compound were analysed by spectroscopic (photoacoustic, IR) methods showing alterations in its components: Pb 3 O 4 is reduced to PbO and exsuded paraffin is oxidized. Methane is prevalent in the gaseous mixture released by the heated compound and analysed by Gas Chromatography. (author) [pt

  12. Thermal conductivity of REIn3 compounds

    International Nuclear Information System (INIS)

    Mucha, J

    2006-01-01

    The results of measurements of the thermal conductivity of REIn 3 (RE Pr, Nd, Dy, Ho, Tm) compounds as a function of the temperature in the interval 4-300 K in the absence and in the presence of an external magnetic field of 8 T are presented. Except for PRIn 3 all the compounds are antiferromagnetic. YIn 3 was also measured as a reference compound. The results were analysed in the paramagnetic phase, where an influence of the crystalline electric field on the thermal conductivity was found. Drastic changes in the thermal conductivity were observed and analysed in the vicinity of the Neel temperature and in the antiferromagnetic phases of the compounds. Below the Neel temperature an additional magnon contribution to the thermal conductivity was separated out

  13. SELKIRK'S THEORY OF VERBAL COMPOUNDING: A CRITICAL ...

    African Journals Online (AJOL)

    Selkirk presents her theory of verbal compounding as part of a more general theory ... typical lexicalist vein, words are assigned a dual status (Selkirk 1981: 230), On ..... nonhead and a deverbal head ~s an extremely product~ve process. Con-.

  14. Food applications of natural antimicrobial compounds

    Science.gov (United States)

    Lucera, Annalisa; Costa, Cristina; Conte, Amalia; Del Nobile, Matteo A.

    2012-01-01

    In agreement with the current trend of giving value to natural and renewable resources, the use of natural antimicrobial compounds, particularly in food and biomedical applications, becomes very frequent. The direct addition of natural compounds to food is the most common method of application, even if numerous efforts have been made to find alternative solutions to the aim of avoiding undesirable inactivation. Dipping, spraying, and coating treatment of food with active solutions are currently applied to product prior to packaging as valid options. The aim of the current work is to give an overview on the use of natural compounds in food sector. In particular, the review will gather numerous case-studies of meat, fish, dairy products, minimally processed fruit and vegetables, and cereal-based products where these compounds found application. PMID:23060862

  15. Organolead compounds shown to be genetically active

    Energy Technology Data Exchange (ETDEWEB)

    Ahlberg, J; Ramel, C; Wachtmeister, C A

    1972-01-01

    The purpose of the present investigation was to determine whether alkyllead compounds would cause a genetic effect similar to that caused by alkyl mercury compounds. Experiments were conducted on Allium cepa (onion) in order to determine the effect of lead compounds on the spindle fiber mechanism. Results indicate that disturbances of the spindle fiber mechanism occur even at very low concentrations. The lowest concentration at which such effects are observed seems to be between 10/sup -6/ and 10/sup -7/ M for the organic compounds. Although no effect can be observed on the spindle fibers at lower dosages, the mitotic index is changed even at a dose of 10/sup -7/ M with dimethyllead. A preliminary experiment was made on Drosophila with triethyllead in order to investigate whether the effects which were observed on mitoses in Allium would also be observed in a meiotic cell system in an animal.

  16. Thermodynamic Analysis of Ionic Compounds: Synthetic Applications.

    Science.gov (United States)

    Yoder, Claude H.

    1986-01-01

    Shows how thermodynamic cycles can be used to understand trends in heats of formation and aqueous solubilities and, most importantly, how they may be used to choose synthetic routes to new ionic compounds. (JN)

  17. Expatriate Compound Living: An Ethnographic Field Study

    DEFF Research Database (Denmark)

    Lauring, Jakob; Selmer, Jan

    2009-01-01

    In certain countries, closed expatriate compounds have developed.  They serve to provide resident expatriates and accompanying family members with a comfortable and safe environment. Unfortunately, not much is known about compound life since associated empirical research is scarce. Through...... ethnographic field-work methodology, including interviews and participant observation during a period of three months, this exploratory study investigated 16 Danish business expatriates of a large Danish corporation and their families living in the same compound in Saudi Arabia. They shared their spare time...... and the expatriates had the same working hours in the same subsidiary. Results show that a Danish national group was established and maintained. This in-group dominated life in the compound and at work it may have contributed to the perceptual bias and discriminatory behaviour demonstrated by the Danish expatriates...

  18. Pyridinium Oxime Compounds as Antimicrobial Agents

    National Research Council Canada - National Science Library

    Berger, Bradley J; Knodel, Marvin H

    2007-01-01

    ... (as a model for Leishmania spp.). In general, the compounds were found to have little to no antimicrobial effect, with KJD-2-11, a thiourea derivative, being the most active in all the test systems.

  19. Techniques for Analysis of Plant Phenolic Compounds

    Directory of Open Access Journals (Sweden)

    Thomas H. Roberts

    2013-02-01

    Full Text Available Phenolic compounds are well-known phytochemicals found in all plants. They consist of simple phenols, benzoic and cinnamic acid, coumarins, tannins, lignins, lignans and flavonoids. Substantial developments in research focused on the extraction, identification and quantification of phenolic compounds as medicinal and/or dietary molecules have occurred over the last 25 years. Organic solvent extraction is the main method used to extract phenolics. Chemical procedures are used to detect the presence of total phenolics, while spectrophotometric and chromatographic techniques are utilized to identify and quantify individual phenolic compounds. This review addresses the application of different methodologies utilized in the analysis of phenolic compounds in plant-based products, including recent technical developments in the quantification of phenolics.

  20. using stereochemistry models in teaching organic compounds

    African Journals Online (AJOL)

    Preferred Customer

    The purpose of the study was to find out the effect of stereochemistry models on students' ... consistent with the names given to organic compounds. Some of ... Considering class level, what is the performance of the students in naming organic.