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.

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

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.

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.

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.

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}.

Ti2FeZ (Z=Al, Ga, Ge) alloys: Structural, electronic, and magnetic properties

International Nuclear Information System (INIS)

Liping, Mao; Yongfan, Shi; Yu, Han

2014-01-01

Using the first-principle projector augmented wave potential within the generalized gradient approximation taking into account the on-site Coulomb repulsive, we investigate the structural, electronic and magnetic properties of Ti 2 FeZ (Z=Al, Ga, Ge) alloys with Hg 2 CuTi-type structure. These alloys are found to be half-metallic ferrimagnets. The total magnetic moments of the Heusler alloys Ti 2 FeZ follow the µ t =Z t −18 rule and agree with the Slater–Pauling curve quite well. The band gaps are mainly determined by the bonding and antibonding states created from the hybridizations of the d states between the Ti(A)–Ti(B) coupling and Fe atom. - Highlights: • Ti 2 FeZ (Z=Al, Ga, Ge) are found to be half-metallic ferrimagnets. • The band gaps are mainly determined by the hybridizations of the d states between the Ti(A)–Ti(B) coupling and Fe atom. • The s–p elements play an important role in the half-metallicity of these Heusler alloys

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)

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

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.

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.

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.

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)

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)

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.

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.

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.

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

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...

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.

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.

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

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.

Electronic, optical, and thermoelectric properties of Fe2+xV1−xAl

Directory of Open Access Journals (Sweden)

D. P. Rai

2017-04-01

Full Text Available We report the electronic, optical, and thermoelectric properties of full-Heusler alloy Fe2VAl with Fe antisite doping (Fe2+xV1−xAl as obtained from the first-principles Tran-Blaha modified Becke-Johnson potential. The results are discussed in relation to the available experimental data and show good agreements for the band gap, magnetic moment, and optical spectra. Exploring our transport data for thermoelectric applicability suggest that Fe2+xV1−xAl is a good candidate with a high figure of merit (ZT 0.75(0.65 for x = 0.25(0.50 at room temperature.

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.

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.

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.

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.

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

Magnetoresistance in ferromagnetic shape memory alloy NiMnFeGa

International Nuclear Information System (INIS)

Liu, Z.H.; Ma, X.Q.; Zhu, Z.Y.; Luo, H.Z.; Liu, G.D.; Chen, J.L.; Wu, G.H.; Zhang Xiaokai; Xiao, John Q.

2011-01-01

The magnetoresistance (MR){=[R(H)-R(0)]/R(0)} properties in ferromagnetic shape memory alloy of NiMnFeGa ribbons and single crystals, and NiFeGa ribbons have been investigated. It is found that the NiMnFeGa melt-spun ribbon exhibited GMR effect, arising from the spin-dependent scattering from magnetic inhomogeneities consisting of antiferromagnetically coupled Mn atoms in B2 structure. In the absence of these magnetic inhomogeneities, Heusler alloys seem to show a common linear MR behavior at around 0.8T C , regardless of sample structures. This may be explained by the s-d model. At low temperatures, conventional AMR behaviors due to the spin-orbital coupling are observed. This is most likely due to the diminished MR from s-d model because of much less spin fluctuation, and is not associated with martensite phase. MR anomaly at intermediate field (ρ perpendicular >ρ || ) is also observed in single crystal samples, which may be related to unique features of Heusler alloys. - Highlights: → NiMnFeGa melt-spun ribbon exhibited GMR effect with a large negative MR up to -13%. → GMR behavior is arising from the spin-dependent scattering from magnetic inhomogeneities. → In the absence of these magnetic inhomogeneities, Heusler alloys seem to show a common linear MR behavior at around 0.8T C . → Conventional AMR behaviors due to the spin-orbital coupling are observed in NiMnFeGa single crystal and Ni 2 FeGa ribbon samples at low temperatures.

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.

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.

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

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.

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.

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.

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.

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.

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

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.

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

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)

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.

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.

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.

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

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

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.

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.

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

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.

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

Science.gov (United States)

Felser, Claudia; Hillebrands, Burkard

2007-03-01

resolution measurements of the valence band close to the Fermi energy indicate the existence of the gap in the minority states for all investigated Co2Fe1 - xMnxSi compounds. Other Co2 Heusler compounds are also possible candidates for magneto-electronic devices. Miura et al [21] have found that the disorder between Co and Y atoms correlates with the total valence electron charges around Y atom and have predicted that Ti-based compounds are better than Cr-, Mn- and Fe-based compounds in preventing the atomic disorder between Co and Y atoms. Kandpal et al have therefore investigated the electronic structure and disordering effects in Co2TiSn using local probes, 119Sn Mössbauer spectroscopy and 59Co nuclear magnetic resonance spectroscopy. They found that the sample possesses up to 10% of antisite (Co/Ti) disordering, a disorder that does not destroy the half-metallic character of this material. We hope that this Cluster of papers will help to stimulate and push forward the research of materials with high spin polarization. References [1] Sakuraba Y, Hattori M, Oogane M, Ando Y, Kato H, Sakuma A, Miyazaki T and Kubota H 2006 Giant tunneling magnetoresistance in Co2MnSi/Al-O/Co2MnSi magnetic tunnel junctions Appl. Phys. Lett. 88 192508 [2] S Wurmehl, Fecher G H, Kandpal H C, Ksenofontov V, Felser C, and Lin H-J 2006 Investigation of Co2FeSi: the Heusler compound with highest Curie temperature and magnetic moment Appl. Phys. Lett. 88 032503 [3] Tezuka N, Ikeda N, Sugimoto S and Inomata K 2006 175% TMR at room temperature and high thermal stability using Co2FeAl0.5Si0.5 full-Heusler alloy electrodes Appl. Phys. Lett. 89 252508 [4] Block T, Felser C, Jakob G, Ensling J, Mühling B, Gütlich P, Cava R J 2003 Large negative magnetoresistance effects in Co2Cr0.6Fe0.4Al J. Solid State Chem. 176 646 [5] Marukame T, Ishikawa T, Matsuda K I, Uemura T and Yamamoto M 2006 High tunnel magnetoresistance in fully epitaxial magnetic tunnel junctions with a full-Heusler alloy Co2Cr0.6Fe0.4Al

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

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.

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.

Microstructural evolution and creep of Fe-Al-Ta alloys

Energy Technology Data Exchange (ETDEWEB)

Prokopcakova, Petra; Svec, Martin [Technical University of Liberec (Czech Republic). Dept. of Material Science; Palm, Martin [Max-Planck-Institut fuer Eisenforschung GmbH, Duesseldorf (Germany). Structure and Nano-/Micromechanics of Materials

2016-05-15

The microstructural evolution in Fe-Al-Ta alloys containing 23 - 31 at.% Al and 1.5 - 2.2 at.% Ta has been studied in the temperature range 650 - 750 C by annealing for 1, 10, 100 and 1 000 h. The experiments confirm that in this temperature range the precipitation of the stable hexagonal C14 Laves phase is preceded by formation of coherent, metastable L2{sub 1} Heusler phase precipitates within the Fe-Al matrix. However, precipitates of C14 are observed after much shorter annealing times than previously assumed. Creep strength increases substantially with increasing Al content of the alloys because the solid solubility for Ta in the Fe-Al matrix increases with increasing Al content and solid-solution hardening contributes substantially to the observed high creep strength. It may therefore be that the microstructural changes during creep have no noticeable effect on creep strength.

Microstructural evolution and creep of Fe-Al-Ta alloys

International Nuclear Information System (INIS)

Prokopcakova, Petra; Svec, Martin; Palm, Martin

2016-01-01

The microstructural evolution in Fe-Al-Ta alloys containing 23 - 31 at.% Al and 1.5 - 2.2 at.% Ta has been studied in the temperature range 650 - 750 C by annealing for 1, 10, 100 and 1 000 h. The experiments confirm that in this temperature range the precipitation of the stable hexagonal C14 Laves phase is preceded by formation of coherent, metastable L2 1 Heusler phase precipitates within the Fe-Al matrix. However, precipitates of C14 are observed after much shorter annealing times than previously assumed. Creep strength increases substantially with increasing Al content of the alloys because the solid solubility for Ta in the Fe-Al matrix increases with increasing Al content and solid-solution hardening contributes substantially to the observed high creep strength. It may therefore be that the microstructural changes during creep have no noticeable effect on creep strength.

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

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.

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.

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

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

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)

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.

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.

Identification of Optimum Magnetic Behavior of NanoCrystalline CmFeAl Type Heusler Alloy Powders Using Response Surface Methodology

Science.gov (United States)

Srivastava, Y.; Srivastava, S.; Boriwal, L.

2016-09-01

Mechanical alloying is a novelistic solid state process that has received considerable attention due to many advantages over other conventional processes. In the present work, Co2FeAl healer alloy powder, prepared successfully from premix basic powders of Cobalt (Co), Iron (Fe) and Aluminum (Al) in stoichiometric of 60Co-26Fe-14Al (weight %) by novelistic mechano-chemical route. Magnetic properties of mechanically alloyed powders were characterized by vibrating sample magnetometer (VSM). 2 factor 5 level design matrix was applied to experiment process. Experimental results were used for response surface methodology. Interaction between the input process parameters and the response has been established with the help of regression analysis. Further analysis of variance technique was applied to check the adequacy of developed model and significance of process parameters. Test case study was performed with those parameters, which was not selected for main experimentation but range was same. Response surface methodology, the process parameters must be optimized to obtain improved magnetic properties. Further optimum process parameters were identified using numerical and graphical optimization techniques.

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)

Structural and magnetic stability of Fe2NiSi

International Nuclear Information System (INIS)

Gupta, Dinesh C.; Bhat, Idris Hamid; Chauhan, Mamta

2014-01-01

Full-potential ab-initio calculations in the stable F-43m phase have been performed to investigate the structural and magnetic properties of Fe 2 NiSi inverse Heusler alloys. The spin magnetic moment distributions show that present material is ferromagnetic in stable F-43m phase. Further, spin resolved electronic structure calculations show that the discrepancy in magnetic moments of Fe-I and Fe-II depend upon the hybridization of Fe with the main group element. It is found that the main group electron concentration is predominantly responsible in establishing the magnetic properties, formation of magnetic moments and the magnetic order for present alloy

(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.

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.

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.

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

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.

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}.

Structural and magnetic stability of Fe{sub 2}NiSi

Energy Technology Data Exchange (ETDEWEB)

Gupta, Dinesh C., E-mail: idu.idris@gmail.com; Bhat, Idris Hamid, E-mail: idu.idris@gmail.com; Chauhan, Mamta, E-mail: idu.idris@gmail.com [Condensed Matter Theory Group, School of Studies in Physics, Jiwaji University, Gwalior - 474011 (India)

2014-04-24

Full-potential ab-initio calculations in the stable F-43m phase have been performed to investigate the structural and magnetic properties of Fe{sub 2}NiSi inverse Heusler alloys. The spin magnetic moment distributions show that present material is ferromagnetic in stable F-43m phase. Further, spin resolved electronic structure calculations show that the discrepancy in magnetic moments of Fe-I and Fe-II depend upon the hybridization of Fe with the main group element. It is found that the main group electron concentration is predominantly responsible in establishing the magnetic properties, formation of magnetic moments and the magnetic order for present alloy.

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 .

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

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

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%.

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)

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.

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.

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)

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

Spin-polarized electron gas in Co2MSi/SrTiO3(M= Ti, V, Cr, Mn, and Fe) heterostructures

KAUST Repository

Nazir, S.

2016-06-08

Spin-polarized density functional theory is used to study the TiO2 terminated interfaces between the magnetic Heusler alloys Co2Si (M = Ti, V, Cr, Mn, and Fe) and the non-polar band insulator SrTiO3. The structural relaxation at the interface turns out to depend systematically on the lattice mis- match. Charge transfer from the Heusler alloys (mainly the M 3d orbitals) to the Ti dxy orbitals of the TiO2 interface layer is found to gradually grow from M = Ti to Fe, resulting in an electron gas with increasing density of spin-polarized charge carriers. (© 2016 WILEY-VCH Verlag GmbH &Co. KGaA, Weinheim). © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim

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.

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).

Mössbauer studies of hyperfine fields in disordered Fe

Indian Academy of Sciences (India)

Heusler-like alloy Fe2CrAl was prepared and studied. Structure determination was done by X-ray. The structure was found to conform to the B2 type. Magnetic hyperfine fields in this sample were studied by the Mössbauer effect. The Mössbauer spectra were recorded over a range of temperature from 40 to 296 K. The ...

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)

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

Band structure and magnetic properties of DO3-type Fe3-xVxAl alloys. Super-cell approach

International Nuclear Information System (INIS)

Deniszczyk, J.; Borgiel, W.

2000-01-01

The electronic structure of Fe 3-x V x Al alloys can be calculated using the super-cell methodology of alloy modeling. The concentration range of x 0.0-1.0 was investigated. For a concentration of x = 0.0625 the energy based analysis reveals that vanadium prefers to replace the Fe atom at sites with the octahedral coordination. It was found that the iron atoms coordinated by the eight nearest-neighbour Fe atoms preserve their high magnetic moment up to a concentration of x = 0.9375 even through the average total magnetic moment goes to zero. The relatively high (∼ -1.0 μ B ) negative magnetic moment of V remains constant up to x ∼ 0.5. In the concentration range of x = 0.75-0.9375 the gap at ε F of the minority density of states is observed while the majority density of states displays a sharp peak structure at the Fermi energy. This feature suggests the heavy-fermion behaviour of the Fe 2 VAl compound. (author)

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

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.

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.

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.

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], ...

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.

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)

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.

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.

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.

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

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.

Spin-polarized electron gas in Co2MSi/SrTiO3(M= Ti, V, Cr, Mn, and Fe) heterostructures

KAUST Repository

Nazir, S.; Schwingenschlö gl, Udo

2016-01-01

Spin-polarized density functional theory is used to study the TiO2 terminated interfaces between the magnetic Heusler alloys Co2Si (M = Ti, V, Cr, Mn, and Fe) and the non-polar band insulator SrTiO3. The structural relaxation at the interface turns

Electric Field Tuning Non-volatile Magnetism in Half-Metallic Alloys Co2FeAl/Pb(Mg1/3Nb2/3)O3-PbTiO3 Heterostructure

Science.gov (United States)

Dunzhu, Gesang; Wang, Fenglong; Zhou, Cai; Jiang, Changjun

2018-03-01

We reported the non-volatile electric field-mediated magnetic properties in the half-metallic Heusler alloy Co2FeAl/Pb(Mg1/3Nb2/3)O3-PbTiO3 heterostructure at room temperature. The remanent magnetization with different applied electric field along [100] and [01-1] directions was achieved, which showed the non-volatile remanent magnetization driven by an electric field. The two giant reversible and stable remanent magnetization states were obtained by applying pulsed electric field. This can be attributed to the piezostrain effect originating from the piezoelectric substrate, which can be used for magnetoelectric-based memory devices.

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

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

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.

Point defects in B.C.C. Fe-Al, Fe-Co, and Fe-Co-V ordered alloys

International Nuclear Information System (INIS)

Riviere, J.P.; Dinhut, J.F.

1982-01-01

Radiation damage produced at 20 K by 2.5 MeV electrons is studied in three B 2 type Fe-40 at % Al, Fe-Co, Fe-Co-V ordered alloys. The resistivity damage in Fe-40 at % Al ordered single crystals is found less effective in the directions. The results suggest that replacement collision chains are difficult to propagate along the direction. Frenkel pair creation superimposed with disordering can account for the resistivity damage in the initially ordered Fe-Co alloy. Informations concerning replacement collision sequences in direction are derived. During the recovery of all the alloys, three main stages are observed and an ordering enhancement occurs. (author)

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

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.

A polarized neutron study of the magnetization distribution in Co2FeSi

International Nuclear Information System (INIS)

Brown, P J; Kainuma, R; Kanomata, T; Okubo, A; Neumann, K-U; Umetsu, R Y; Ziebeck, K R A

2013-01-01

The magnetization distribution in Co 2 FeSi which has the largest moment per formula unit ∼6 μ B of all Heusler alloys, has been determined using polarized neutron diffraction. The experimentally determined magnetization has been integrated over spheres centred on the three sites of the L1 2 structure giving μ Fe = 3.10(3) μ B and μ Co = 1.43(2) μ B , results which are slightly lower than the moments in atomic spheres of similar radii obtained in recent LDA + U band structure calculations (Li et al 2010 Chin. Phys. B 19 097102). Approximately 50% of the magnetic carriers at the Fe sites were found to be in orbitals with e g symmetry. This was higher, ≃65%, at the Co sites. Both Fe and Co were found to have orbital moments that are larger than those predicted. Comparison with similar results obtained for related alloys suggests that there must be a finite density of states in both spin bands at the Fermi energy indicating that Co 2 FeSi is not a perfect half-metallic ferromagnet. (paper)

First-principles study of L10 Ti-Al and V-Al alloys

International Nuclear Information System (INIS)

Chubb, S.R.; Papaconstantopoulos, D.A.; Klein, B.M.

1988-01-01

As a first step towards understanding the reduced embrittlement of L1 0 Ti-Al alloys which accompanies the introduction of small concentrations of V, we have determined from first principles, using full-potential linearized--augmented-plane-wave calculations, the equilibrium values of the structural parameters and the associated electronic structure for the stoichiometric (L1 0 ) Ti-Al (tetragonal) compound. Our calculated values of c/a and a are in good agreement with experiment. Using the same method of calculation, we have also studied the electronic structure associated with the (hypothetical) L1 0 V-Al alloy that would form when V is substituted for Ti. We find that (1) the electronic structures of these V-Al alloys are relatively insensitive to variations of c/a and a; (2) near the Ti-Al equilibrium geometry, the electronic structures of the V-Al and Ti-Al alloys are very similar; and (3) that a rigid-band model involving substitution of V for Ti can be used to gain a qualitative understanding of the reduction in c/a which accompanies the introduction of small concentrations of V. We relate the reduction in c/a to important changes in the bonding that accompany the occupation of bands immediately above the Fermi level of the stoichiometric Ti-Al compound

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

Photoabsorption coefficient of alloys at Al with transition metals V, Fe, Ni and with Cu and Pr from 30 eV to 150 eV photon energy

International Nuclear Information System (INIS)

Hagemann, H.J.; Gudat, W.; Kunz, C.

1975-10-01

The absorption coeffecient of VAl 3 , FeAl, NiAl, NiAl 3 , CuAl 2 , PrAl 2 and of disordered V-Al (16 at. % Al, 28 %, 41%) and Fe-Al (11%) alloys has been measured in the region of the Msub(2,3)-absorption of the transition metals and the L-absorption of Al. The strong changes of the Al spectrum in the region of the 100 eV maximum upon alloying are explained as another evidence of the EXAFS (extended X-ray absorption fine structure) nature of these structures. The broad, prominent absorption peaks from the 3p excitations in V and Fe and from the 4d excitations in Pr are influenced only little on alloying and thus appear to be of atomic origin. The fine structure at the onset of the Pr 4d-transitions is identical in the metal and the alloy but differs from that of Pr oxide. The only Msub(2,3)-edge which is detectably shifted is that if Ni (up to 2.1 eV), whereas the onset of the Al Lsub(2,3)-edge is shifted in all the alloys (up to 1.1 eV). The shifts are interpreted in accordance with X-ray fluorescence and nuclear resonance measurements as changes of the density of states in the valence band of the alloys. (orig.) [de

Magnetic hysterysis evolution of Ni-Al alloy with Fe and Mn substitution by vacuum arc melting to produce the room temperature magnetocaloric effect material

Energy Technology Data Exchange (ETDEWEB)

Notonegoro, Hamdan Akbar [PPS Materials Science, FMIPA-Universitas Indonesia, Depok 16424 (Indonesia); Mechanical Engineering Dept., FT-Universitas Sultan Ageng Tirtayasa, Cilegon 42435 (Indonesia); Kurniawan, Budhy; Manaf, Azwar, E-mail: azwar@sci.ui.ac.id [PPS Materials Science, FMIPA-Universitas Indonesia, Depok 16424 (Indonesia); Setiawan, Jan [Center for Nuclear Fuel Tecnology-Badan Tenaga Atom Nasional, Tangerang Selatan 15310 (Indonesia)

2016-06-17

The development of magnetocaloric effect (MCE) material is done in order to reduce the damage of the ozone layer caused by the chlorofluorocarbons (CFCs) emitted into the air. The research dealing with synthesis of magnetocaloric materials based of Ni-Al Heusler Alloy structure and by varying substitution some atoms of Ni with Fe and Al with Mn on Ni-Al Heusler Alloy structure to become Ni{sub 44}Fe{sub 6}Mn{sub 32}Al{sub 18}. Vacuum Arc Melting (VAM) equipment is used to form the alloys on vacuum condition and by flowing argon gas atmosphere and then followed by annealing process for 72 hours. X-Ray Diffraction (XRD) reveals that crystallite structure of material is observed. We define that Ni{sub 44}Fe{sub 6} as X{sub 2}, Mn{sub 25} as Y, and Al{sub 18}Mn{sub 7} as Z. Based on the XRD result, we observed that the general formula X{sub 2}YZ is not changed. The PERMAGRAF measurement revealed that there exists of magnetic hysterysis. The hysterysis show that the magnetic structures of the system undego evolution from diamagnetic to soft ferromagnetic material which all of the compound have the same crystallite structure. This evolution indicated that the change in the composition has led to changes the magnetic composition. Mn is the major element that gives strong magnetic properties to the sample. When Mn partially replaced position of Al, the sample became dominant to be influenced to improve their magnetic properties. In addition, substitution a part of Ni by Fe in the composition reveals a pinning of the domain walls in the sample.

Effect of Fe substitution on the structure and magnetocaloric effect of Mn{sub 5−x}Fe{sub x}GeSi{sub 2} alloys

Energy Technology Data Exchange (ETDEWEB)

Sun, Y.W.; Yan, J.L., E-mail: yjl@gxu.edu.cn; Feng, E.L.; Tang, G.W.; Zhou, K.W.

2017-01-15

The structure and magnetocaloric effect of Mn{sub 5−x}Fe{sub x}GeSi{sub 2} compounds were studied. Analysis of X-ray powder diffraction and energy dispersive X-Ray spectroscopy revealed that Mn{sub 5−x}Fe{sub x}GeSi{sub 2} alloys with x<1 crystallize in the Mn{sub 5}Si{sub 3}-type structure (space group P6{sub 3}/mcm), maintaining the structure of Mn{sub 5}Ge{sub 3}; and alloys with x=1.5 and 2 consist of the major Mn{sub 5}Si{sub 3}-type phase and the minor Ni{sub 2}In-type phase (space group P6{sub 3}/mmc). The results of Rietveld refinement showed that the cell parameters for the Mn{sub 5}Si{sub 3}-type phase decrease with increasing Fe content. The positive slopes in Arrott plots indicate that a second-order ferromagnetic to paramagnetic transition occurs. The Curie temperature increases with increasing Fe content from 182 K for x=0.6 to 224 K for x=2. The maximum magnetic entropy change of 3.7 J/(kg K) for x=0.8 was found under a magnetic field change of 0–20 kOe. - Highlights: • Mn{sub 5−x}Fe{sub x}GeSi{sub 2} alloys with x<1 crystallize in the hexagonal Mn{sub 5}Si{sub 3}-type structure. Alloys with x=1.5 and 2 consist of a major Mn{sub 5}Si{sub 3}-type phase and a secondary Ni{sub 2}In-type phase. • The cell parameters decrease and the Curie temperature increases with increasing x in Mn{sub 5−x}Fe{sub x}GeSi{sub 2} alloys. • The maximum -∆S{sub M} of 3.7 J/(kg K) and RCP of 211 J/kg for x=0.8 was found under a magnetic field change of 0–20 kOe.

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

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.

TEM and Moessbauer Study of Nano Sized Fe2MnAl Flakes

International Nuclear Information System (INIS)

Vinesh, A.; Sudheesh, V. D.; Lakshmi, N.; Venugopalan, K.

2011-01-01

Magnetic and structural properties of L21 ordered Fe 2 MnAl Heusler alloy have been studied by X-ray diffraction, Transmission electron microscopy (TEM), Moessbauer spectroscopy and DC magnetization. Structural texturing induced by ball milling is destroyed on heating while Moessbauer and DC magnetization studies show magnetic texturing persists after thermal treatment. TEM shows large distribution in particle size with an average size of 27 nm. Thermal annealing of ball milled sample results L2 1 ordering and the needle shaped particle contributes spin texturing.

Mechanical alloying in the Fe-Cu system

DEFF Research Database (Denmark)

Jiang, Jianzhong; Gente, C.; Bormann, R.

1998-01-01

The studies of mechanical alloying on the Fe-Cu system, as a model system for those with positive heats of mixing, are reviewed. Several problems involved in the mechanical alloying process are discussed. For example, (1) whether alloying occurs on an atomic level; (2) what the solid solubility...... in the Fe-Cu system is; (3) where the positive energy is stored in the alloys; (4) what the decomposition process of the supersaturated alloys is; and (5) what type of magnetic properties the new materials have. The elucidation of these problems will shed light on the understanding of the mechanisms...... for the preparation of materials under highly non-equilibrium conditions in systems with positive heats of mixing by mechanical alloying....

Positron-annihilation 2D-ACAR studies of disordered and defected alloys

International Nuclear Information System (INIS)

Bansil, A.; Prasad, R.; Smedskjaer, L.C.; Benedek, R.; Mijnarends, P.E.

1987-09-01

Theoretical and experimental progess in connection with 2D-ACAR positron annihilation studies of ordered, disordered, and defected alloys is discussed. We present, in particular, some of the recent developments concerning the electronic structure of disordered alloys, and the work in the area of annihilation from positrons trapped at vacancy-type defects in metals and alloys. The electronic structure and properties of a number of compounds are also discussed briefly; we comment specifically on high T/sub c/ ceramic superconductors, Heusler alloys, and transition-metal aluminides. 58 refs., 116 figs

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.

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.

Corrosion resistance of Fe-based amorphous alloys

International Nuclear Information System (INIS)

Botta, W.J.; Berger, J.E.; Kiminami, C.S.; Roche, V.; Nogueira, R.P.; Bolfarini, C.

2014-01-01

Highlights: ► We report corrosion properties of Fe-based amorphous alloys in different media. ► The Cr-containing alloys had corrosion resistance close to that of Pt in all media. ► The wide range of electrochemical stability is relevant in many industrial domains. -- Abstract: Fe-based amorphous alloys can be designed to present an attractive combination of properties with high corrosion resistance and high mechanical strength. Such properties are clearly adequate for their technological use as coatings, for example, in steel pipes. In this work, we studied the corrosion properties of amorphous ribbons of the following Fe-based compositions: Fe 66 B 30 Nb 4 , [(Fe 0.6 Co 0.4 ) 0.75 B 0.2 Si 0.05 ] 96 Nb 4 , [(Fe 0.7 Co 0.3 ) 0.75 B 0.2 Si 0.05 ] 96 Nb 4 , Fe 56 Cr 23 Ni 5.7 B 16 , Fe 53 Cr 22 Ni 5.6 B 19 and Fe 50 Cr 22 Ni 5.4 B 23 . The ribbons were obtained by rapid solidification using the melt-spinning process, and were characterized by X-ray diffraction (XRD), differential scanning calorimetry (DSC) and optical (OM) and scanning electron microscopy (SEM). The corrosion properties were evaluated by corrosion potential survey and potentiodynamic polarization. The Cr containing alloys, that is the FeCrNiB type of alloys, showed the best corrosion resistance properties with the formation of a stable passive film that ensured a very large passivation plateau

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.

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

Science.gov (United States)

Frankel, Dana J.

-Thompson models for composition trajectories for systems under evolving unstable equilibrium. Mechanical and thermal cyclic stability are investigated using compression testing and differential scanning calorimetry. Mechanical properties are characterized using room temperature and high temperature Vickers microhardness as well as nanoindentation. A superelastic Ni-free (Pd,Fe)(Ti,Al) alloy with near-ambient transformation temperatures, low hysteresis, a highly stable cyclic response, and reversible transformation strains of 3.2% was designed. Due to Pd softening, the addition of Zr is considered to improve strength in a low-Ni "hybrid" (Pd,Ni)(Ti,Zr,Al) alloy. Aging studies at 600°C result in unusually fast coarsening kinetics, while low-temperature aging studies at 500-530°C reveal the presence of a Zr-rich phase in association with the matrix and Heusler phase. A strengthening study on a nontransforming hybrid prototype shows lower than expected precipitation strengthening at 600°C but significant strengthening when aged at 500°C due to the Zr-rich phase. Transformation temperatures, transformation strain, and cyclic stability are characterized in a set of transforming hybrid prototypes.

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

half-metallic Heusler compounds. The availableness of these high quality quaternary alloy films allowed the systematic investigation of their electronic properties. Band structure calculations predict that the substitution of Mn by Fe leads to a shift of the Fermi energy over the minority energy gap, whereas the density of states remains nearly unchanged. The corresponding changes in the topology of the Fermi surface could be tested by electronic transport measurements. This is particularly obvious in the normal Hall effect. Here a transition from a hole-like charge transport in Co{sub 2}MnSi to an electron-like transport in Co{sub 2}FeSi could be demonstrated. This is in accordance with the corresponding band structure calculations. Additionally, with these samples comparative XMCD experiments were performed. The densities of states reconstructed from these spectra show the expected shift of the Fermi energy as well. Furthermore, the behavior of the anomalous Hall effect was studied. Here it could be seen that the effect is influenced by two mechanisms: On the one hand an intrinsic contribution, caused by the topology of the Fermi surface and on the other hand by temperature dependent impurity scattering. These two effects have an opposing influence on the anomalous Hall effect. This can lead to an observable sign reversal of the anomalous contribution. This behavior has been predicted just recently and was in this work systematically investigated for the first time for Heusler compounds. (orig.)

Structure, magnetic and thermo-mechanic properties of Ni2.14Mn0.81Fe0.05Ga Heusler alloy

International Nuclear Information System (INIS)

Borisenko, I.D.; Koledov, V.V.; Khovajlo, V.V.; Khudaverdyan, T.O.; Shavrov, V.G.; Grechishkin, R.M.; Krasnoperov, E.P.; Li, Ya.; Tszyan, Ch.

2005-01-01

The influence of a strong magnetic field, single-axis pressure and intensive ultrasound on the process of structural (martensitic) transition on polycrystals of ferromagnetic alloy Ni 2.14 Mn 0.81 Fe 0.05 Ga with shape memory was studied experimentally. It is shown that magnetic field up to 8 T shifts without essential distortions the temperature hysteresis loop of martensitic transition to the range of higher temperatures, single-axis pressure blurs the martensitic transition, expanding the temperature hysteresis loop, while ultrasonic vibration may result in contraction of the hysteresis loop [ru

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

Coercivity Recovery Effect of Sm-Fe-Cu-Al Alloy on Sm2Fe17N3 Magnet

Science.gov (United States)

Otogawa, Kohei; Asahi, Toru; Jinno, Miho; Yamaguchi, Wataru; Takagi, Kenta; Kwon, Hansang

2018-03-01

The potential of a Sm-Fe-Cu-Al binder for improvement of the magnetic properties of Sm2Fe17N3 was examined. Transmission electron microscope (TEM) observation of a Sm-Fe-Cu-Al alloy-bonded Sm2Fe17N3 magnet which showed high coercivity revealed that the Sm-Fe-Cu-Al alloy had an effect of removing the surface oxide layer of the Sm2 Fe17N3 grains. However, the Sm-Fe-Cu-Al binder was contaminated by carbon and nitrogen, which originated from the organic solvent used as the milling medium during pulverization. To prevent carbon and nitrogen contamination, the Sm-Fe- Cu-Al alloy was added directly on the surface of the Sm2Fe17N3 grains by sputtering. Comparing the recovered coercivity per unit amount of the added binder the uncontaminated binder-coated sample had a higher coercivity recovery effect than the milled binder-added sample. These results suggested that sufficient addition of the contamination-free Sm-Fe-Cu-Al binder has the possibility to reduce the amount of binder necessary to produce a high coercive Sm2Fe17N3 magnet.

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.

Phase composition of iron-rich R-Fe-Si (R=Dy, Ho, Er) alloys

International Nuclear Information System (INIS)

Ivanova, G.V.; Makarova, G.M.; Shcherbakova, E.V.; Belozerov, E.V.

2005-01-01

Phase composition is studied in iron-rich alloys of R-Fe-Si (R=Dy, Ho, Er). In the as-cast state R 2 (Fe, Si) 17 of type Th 2 Ni 17 and R(Fe, Si) 12 compounds are observed; in the alloys of rated composition of R(Fe 0.85 Si 0.15 ) 8.5 (R=Dy, Er) a compound R 2 (Fe, Si) 17 of Th 2 Zn 17 -type is revealed as well. The annealing at 1273 K results in formation of Dy 3 (Fe, Si) 29 and also the compounds with the presumed composition of Dy 4 (Fe, Si) 41 and Ho 4 (Fe, Si) 41 . As this takes place the alloys contain a transition structure as well that represents a set of small-sized areas with various type short-range order in mutual displacement of Fe-Fe(Si) dumpbell chains. The process of phase formation at 1273 K is faced with difficulties. Even the annealing for 1000 h does not result in the state of equilibrium [ru

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} (5Fe{sub 37} and Heusler-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.

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

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.

Phase Transformation Behavior of Oxide Particles Formed in Mechanically Alloyed Fe-5Y{sub 2}O{sub 3} Powder

Energy Technology Data Exchange (ETDEWEB)

Kim, Ga Eon; Choi, Jung-Sun; Noh, Sanghoon; Kang, Suk Hoon; Choi, Byoung Kwon; Kim, Tae Kyu [Korea Atomic Energy Research Institute, Deajeon (Korea, Republic of); Kim, Young Do [Hanyang University, Seoul (Korea, Republic of)

2017-05-15

The phase transformation behavior of the oxides formed in mechanically alloyed Fe-5Y{sub 2}O{sub 3} powder is investigated. Non-stoichiometric Y-rich and Fe-rich oxides with sizes of less than 300 nm are observed in the mechanically alloyed powder. The diffusion and redistribution reactions of the elements in these oxides during heating of the powder above 800 ℃ were observed, and these reactions result in the formation of a Y{sub 3}Fe{sub 5}O{sub 12} phase after heating at 1050 ℃. Thus, it is considered that the Y{sub 2}O{sub 3} powder and some Fe powder are formed from the non-stoichiometric Y-rich and Fe-rich oxides after the mechanical alloying process, and a considerable energy accumulated during the mechanical alloying process leads to a phase transformation of the Y-rich and Fe-rich oxides to Y{sub α}Fe{sub β}O{sub γ}-type phase during heating.

Lattice dynamic properties of Rh2XAl (X=Fe and Y) alloys

Science.gov (United States)

Al, Selgin; Arikan, Nihat; Demir, Süleyman; Iyigör, Ahmet

2018-02-01

The electronic band structure, elastic and vibrational spectra of Rh2FeAl and Rh2YAl alloys were computed in detail by employing an ab-initio pseudopotential method and a linear-response technique based on the density-functional theory (DFT) scheme within a generalized gradient approximation (GGA). Computed lattice constants, bulk modulus and elastic constants were compared. Rh2YAl exhibited higher ability to resist volume change than Rh2FeAl. The elastic constants, shear modulus, Young modulus, Poisson's ratio, B/G ratio electronic band structure, total and partial density of states, and total magnetic moment of alloys were also presented. Rh2FeAl showed spin up and spin down states whereas Rh2YAl showed none due to being non-magnetic. The calculated total densities of states for both materials suggest that both alloys are metallic in nature. Full phonon spectra of Rh2FeAl and Rh2YA1 alloys in the L21 phase were collected using the ab-initio linear response method. The obtained phonon frequencies were in the positive region indicating that both alloys are dynamically stable.

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.

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.

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.

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...

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.

Physical Properties of Intermetallic FE2VA1

Energy Technology Data Exchange (ETDEWEB)

Feng, Ye [Iowa State Univ., Ames, IA (United States)

2001-01-01

Fe₂VAl has recently been discovered to have a negative temperature coefficient of resistivity, moderately enhanced specific heat coefficient, and a large DOS at the Fermi level by photoemission. This triggered a round of heated research to understand the ground state of this material, both theoretically and experimentally. here they report a comprehensive characterization of Fe₂VAl. X-ray diffraction exhibited appreciable antisite disorder in all of our samples. FTIR spectroscopy measurements showed that the carrier density and scattering time had little sample-to-sample variation or temperature dependence for near-stoichiometric samples. FTIR and DC resistivity suggest that the transport properties of Fe₂VAl are influenced by both localized and delocalized carriers, with the former primarily responsible for the negative temperature coefficient of resistivity. Magnetization measurements reveal that near-stoichiometric samples have superparamagnetic clusters with at least two sizes of moments. X-ray photoemission from Fe core level showed localized magnetic moments on site-exchanged Fe. They conclude that in Fe₂VAl, antisite disorder causes significant modification to the semi-metallic band structure proposed by LDA calculations. With antisite disorder considered, they are now able to explain most of the physical properties of Fe₂VAl.

Physical Properties of Intermetallic FE2VA1

International Nuclear Information System (INIS)

Ye Feng

2002-01-01

Fe 2 VAl has recently been discovered to have a negative temperature coefficient of resistivity, moderately enhanced specific heat coefficient, and a large DOS at the Fermi level by photoemission. This triggered a round of heated research to understand the ground state of this material, both theoretically and experimentally. here they report a comprehensive characterization of Fe 2 VAl. X-ray diffraction exhibited appreciable antisite disorder in all of our samples. FTIR spectroscopy measurements showed that the carrier density and scattering time had little sample-to-sample variation or temperature dependence for near-stoichiometric samples. FTIR and DC resistivity suggest that the transport properties of Fe 2 VAl are influenced by both localized and delocalized carriers, with the former primarily responsible for the negative temperature coefficient of resistivity. Magnetization measurements reveal that near-stoichiometric samples have superparamagnetic clusters with at least two sizes of moments. X-ray photoemission from Fe core level showed localized magnetic moments on site-exchanged Fe. They conclude that in Fe 2 VAl, antisite disorder causes significant modification to the semi-metallic band structure proposed by LDA calculations. With antisite disorder considered, they are now able to explain most of the physical properties of Fe 2 VAl

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.

Effect of Molybdenum on the Corrosion Behavior of High-Entropy Alloys CoCrFeNi2 and CoCrFeNi2Mo0.25 under Sodium Chloride Aqueous Conditions

Directory of Open Access Journals (Sweden)

Alvaro A. Rodriguez

2018-01-01

Full Text Available The corrosion behavior of high-entropy alloys (HEAs CoCrFeNi2 and CoCrFeNi2Mo0.25 was investigated in 3.5 wt. percent sodium chloride (NaCl at 25°C by electrochemical methods. Their corrosion parameters were compared to those of HASTELLOY® C-276 (UNS N10276 and stainless steel 316L (UNS 31600 to assess the suitability of HEAs for potential industrial applications in NaCl simulating seawater type environments. The corrosion rates were calculated using corrosion current determined from electrochemical experiments for each of the alloys. In addition, potentiodynamic polarization measurements can indicate active, passive, and transpassive behavior of the metal as well as potential susceptibility to pitting corrosion. Cyclic voltammetry (CV can confirm the alloy susceptibility to pitting corrosion. Electrochemical impedance spectroscopy (EIS elucidates the corrosion mechanism under studied conditions. The results of the electrochemical experiments and scanning electron microscopy (SEM analyses of the corroded surfaces revealed general corrosion on alloy CoCrFeNi2Mo0.25 and HASTELLOY C-276 and pitting corrosion on alloy CoCrFeNi2 and stainless steel 316L.

Temperature dependence of the magnetostriction in polycrystalline PrFe1.9 and TbFe2 alloys: Experiment and theory

International Nuclear Information System (INIS)

Tang, Y. M.; Chen, L. Y.; Huang, H. F.; Xia, W. B.; Zhang, S. Y.; Wei, J.; Tang, S. L.; Du, Y. W.; Zhang, L.

2014-01-01

A remarkable magnetostriction λ 111 as large as 6700 ppm was found at 70 K in PrFe 1.9 alloy. This value is even larger than the theoretical maximum of 5600 ppm estimated by the Steven's equivalent operator method. The temperature dependence of λ 111 for PrFe 1.9 and TbFe 2 alloys follows well with the single-ion theory rule, which yields giant estimated λ 111 values of about 8000 and 4200 ppm for PrFe 1.9 and TbFe 2 alloys, respectively, at 0 K. The easy magnetization direction of PrFe 1.9 changes from [111] to [100] as temperature decreases, which leads to the abnormal decrease of the magnetostriction λ. The rare earth sublattice moment increases sharply in PrFe 1.9 alloy with decreasing temperature, resulting in the remarkably largest estimated value of λ 111 at 0 K according to the single-ion theory

Alloyed Ni-Fe nanoparticles as catalysts for NH₃ decomposition

DEFF Research Database (Denmark)

Simonsen, Søren Bredmose; Chakraborty, Debasish; Chorkendorff, Ib

2012-01-01

A rational design approach was used to develop an alloyed Ni-Fe/Al2O3 catalyst for decomposition of ammonia. The dependence of the catalytic activity is tested as a function of the Ni-to-Fe ratio, the type of Ni-Fe alloy phase, the metal loading and the type of oxide support. In the tests with high...... temperatures and a low NH3-to-H2 ratio, the catalytic activity of the best Ni-Fe/Al2O3 catalyst was found to be comparable or even better to that of a more expensive Ru-based catalyst. Small Ni-Fe nanoparticle sizes are crucial for an optimal overall NH3 conversion because of a structural effect favoring...

Defects and related phenomena in electron irradiated ordered or disordered Fe-Co and Fe-Co-V alloys

International Nuclear Information System (INIS)

Riviere, J.P.; Dinhut, J.F.; Desarmot, G.

1983-01-01

Two B 2 type alloys Fe 50 at.%-Co 50 at.% and Fe 49 at.%-Co 49 at.%-V 2 at.% either in the ordered or the disordered state have been irradiated with 2.5 MeV electrons at liquid hydrogen temperature. The recovery of the resistivity damage was studied during subsequent isochronal annealing up to 700 K. The resistivity damage rates for both initially disordered Fe-Co and Fe-Co-V alloys are interpreted in terms of point defect production. The intrinsic resistivities rhosub(F) of Frenkel pairs and the effective recombination volumes V 0 are determined. In the Fe-Co ordered alloy point defect production superimposed with a disordering process can account for the resistivity damage. The effective displacement rate causing disordering is determined, indicating that replacement collisions are the dominant disordering mechanism. A calculation of the average number of replacements along directions per Frenkel pair is proposed. During the recovery of the radiation induced resistivity three main stages are observed in both ordered and disordered alloys. The particular resistivity behavior of the Fe-Co-V alloy complicates the interpretation of production and recovery data. (author)

Site populations analysis of the Sm2(Co,Fe)17 alloys using Moessbauer spectroscopy

International Nuclear Information System (INIS)

Nagamine, L.C.C.M.

1990-01-01

Moessbauer measurements were carried out at room temperature for Sm 2 (Co 1-x Fe x ) 17 alloys with x=0,1 to 0,6 and Sm 2 (Co 0.9-v Fe v Cu 0.08 Zr 0.02 ) 8.35 , with v=0.23 to 0.27. All samples were characterized by x-ray diffraction. They showed rhombohedral structure of Th 2 Zn 17 type (R 3-bar m), where Fe atoms occupy four crystallographic sites. All spectra showed magnetic splitting and a high complexity resulting from the superposition of four Fe sites. Hyperfine parameters and site populations were obtained by least-squares fitting of the spectra. (author)

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.

2nd Gen FeCrAl ODS Alloy Development For Accident-Tolerant Fuel Cladding

Energy Technology Data Exchange (ETDEWEB)

Dryepondt, Sebastien N. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Massey, Caleb P. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Edmondson, Philip D. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

2016-08-01

Extensive research at ORNL aims at developing advanced low-Cr high strength FeCrAl alloys for accident tolerant fuel cladding. One task focuses on the fabrication of new low Cr oxide dispersion strengthened (ODS) FeCrAl alloys. The first Fe-12Cr-5Al+Y₂O₃ (+ ZrO₂ or TiO₂) ODS alloys exhibited excellent tensile strength up to 800 C and good oxidation resistance in steam up to 1400 C, but very limited plastic deformation at temperature ranging from room to 800 C. To improve alloy ductility, several fabrication parameters were considered. New Fe-10-12Cr-6Al gas-atomized powders containing 0.15 to 0.5wt% Zr were procured and ball milled for 10h, 20h or 40h with Y2O3. The resulting powder was then extruded at temperature ranging from 900 to 1050 C. Decreasing the ball milling time or increasing the extrusion temperature changed the alloy grain size leading to lower strength but enhanced ductility. Small variations of the Cr, Zr, O and N content did not seem to significantly impact the alloy tensile properties, and, overall, the 2nd gen ODS FeCrAl alloys showed significantly better ductility than the 1st gen alloys. Tube fabrication needed for fuel cladding will require cold or warm working associated with softening heat treatments, work was therefore initiated to assess the effect of these fabrications steps on the alloy microstructure and properties. This report has been submitted as fulfillment of milestone M3FT 16OR020202091 titled, Report on 2nd Gen FeCrAl ODS Alloy Development for the Department of Energy Office of Nuclear Energy, Advanced Fuel Campaign of the Fuel Cycle R&D program.

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.

Mechanical properties and bio-tribological behaviors of novel beta-Zr-type Zr-Al-Fe-Nb alloys for biomedical applications.

Science.gov (United States)

Hua, Nengbin; Chen, Wenzhe; Zhang, Lei; Li, Guanghui; Liao, Zhenlong; Lin, Yan

2017-07-01

The present study prepares novel Zr 70+x Al 5 Fe 15-x Nb 10 (x=0, 5) alloys by arc-melting for potential biomedical application. The mechanical properties and bio-tribological behaviors of the Zr-based alloys are evaluated and compared with biomedical pure Zr. The as-prepared alloys exhibit a microstructure containing a micrometer-sized dendritic beta-Zr phase dispersed in a Zr 2 Fe-typed matrix. It is found that increasing the content of Zr is favorable for the mechanical compatibility with a combination of low Young's modulus, large plasticity, and high compressive strength. The wear resistance of the Zr-Al-Fe-Nb alloys in air and phosphate buffer saline (PBS) solution is superior to that of pure Zr. The wear mechanism of Zr-based alloys sliding in air is controlled by oxidation and abrasive wear whereas that sliding in PBS is controlled by synergistic effects of the abrasive and corrosive wear. Electrochemical measurements demonstrate that the Zr-based alloys are corrosion resistant in PBS. Their bio-corrosion resistance is improved with the increase in Zr content, which is attributed to the enrichment in Zr and decrease in Al concentration in the surface passive film of alloys. The Zr 75 Al 5 Fe 10 Nb 10 exhibits the best corrosion resistance in PBS, which contributes to its superior wear resistance in a simulated body environment. The combination of good mechanical properties, corrosion resistance, and biotribological behaviors of the Zr-Al-Fe-Nb alloys offers them potential advantages in biomedical applications. Copyright © 2017 Elsevier B.V. All rights reserved.

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} (152) Heusler 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.

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.

Formation and stability of Fe-rich precipitates in dilute Zr(Fe) single-crystal alloys

International Nuclear Information System (INIS)

Zou, H.; Hood, G.M.; Roy, J.A.; Schultz, R.J.

1993-02-01

The formation and stability of Fe-rich precipitates in two α-Zr(Fe) single-crystal alloys with nominal compositions (I, 50 ppma Fe, and II, 650 ppma Fe) have been investigated (the maximum solid solubility of Fe in α-Zr is 180 ppma - 800 C). Optical microscopy, scanning electron microscopy (SEM) and transmission electron microscopy (TEM) have been used to examine the characteristics of Fe-rich precipitates. SEM and TEM micrographs show that in as-grown alloy II, Zr 2 Fe precipitates are located at 'stringers'. Precipitates were not observed in as-grown alloy I. During annealing, below the solvus, Fe diffuses to the surfaces to form Zr 3 Fe precipitates in both alloys. The precipitates on the surfaces of alloy I tend to be star-like (0001) or pyramidal (1010), and their distribution is heterogeneous. Dissolution of Zr 3 Fe surface precipitates of alloy I (annealing above the solvus) leaves precipitate-like features on the surfaces. Zr 2 Fe precipitates in as-grown alloy II can be dissolved only by β-phase annealing. (Author) 8 figs., 18 refs

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.

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.

In vitro corrosion properties and cytocompatibility of Fe-Ga alloys as potential biodegradable metallic materials.

Science.gov (United States)

Wang, Henan; Zheng, Yang; Liu, Jinghua; Jiang, Chengbao; Li, Yan

2017-02-01

The in vitro biodegradable properties and cytocompatibility of Fe-Ga alloys including Fe 81 Ga 19 , (Fe 81 Ga 19 ) 98 B 2 and (Fe 81 Ga 19 ) 99.5 (TaC) 0.5 , and pure Fe were investigated for biomedical applications. The microstructure of the alloys was characterized using X-ray diffraction spectroscopy and optical microscopy. The results showed that A2 and D0 3 phases were detected for the three types of Fe-Ga alloys, and additional Fe 2 B and TaC phases were found in the (Fe 81 Ga 19 ) 98 B 2 and (Fe 81 Ga 19 ) 99.5 (TaC) 0.5 alloys, respectively. The corrosion rates of the Fe-Ga alloys were higher than that of pure Fe, as demonstrated by both potentiodynamic polarization measurements and immersion tests in simulated body fluid. The alloying element Ga lowered the corrosion potential of the Fe matrix and made it more susceptible to corrosion. Severe pitting corrosion developed on the surface of the Fe 81 Ga 19 alloy after the addition of ternary B or TaC due to the multi-phase microstructures. The MC3T3-E1 cells exhibited good adhesion and proliferation behavior on the surfaces of the Fe-Ga alloys after culture for 4h and 24h. Copyright © 2016 Elsevier B.V. All rights reserved.

Sulfidation behavior of Fe20Cr alloys

International Nuclear Information System (INIS)

Pillis, Marina Fuser

2001-01-01

Alloys for use in high temperature environments rely on the formation of an oxide layer for their protection. Normally, these protective oxides are Cr 2 O 3 , Al 2 O 3 and, some times, SiO 2 . Many industrial gaseous environments contain sulfur. Sulfides, formed in the presence of sulfur are thermodynamically less stable, have lower melting points and deviate much more stoichiometrically, compared to the corresponding oxides. The mechanism of sulfidation of various metals is as yet not clear, in spite of the concerted efforts during the last decade. To help address this situation, the sulfidation behavior of Fe20Cr has been studied as a function of compositional modifications and surface state of the alloy. The alloys Fe20Cr, Fe20Cr0.7Y, Fe20Cr5Al and Fe20Cr5Al0.6Y were prepared and three sets of sulfidation tests were carried out. In the first set, the alloys were sulfidized at 700 deg C and 800 deg C for 10h. In the second set, the alloys were pre-oxidized at 1000 deg C and then sulfidized at 800 deg C for up to 45h. In the third set of tests, the initial stages of sulfidation of the alloys was studied. All the tests were carried out in a thermobalance, in flowing H 2 /2%H 2 S, and the sulfidation behavior determined as mass change per unit area. Scanning electron microscopy coupled to energy dispersive spectroscopy and X-ray diffraction analysis were used to characterize the reaction products. The addition of Y and Al increased sulfidation resistance of Fe20Cr. The addition of Y altered the species that diffused predominantly during sulfide growth. It changed from predominant cationic diffusion to predominant anionic diffusion. The addition of Al caused an even greater increase in sulfidation resistance of Fe20Cr, with the parabolic rate constant decreasing by three orders of magnitude. Y addition to the FeCrAl alloy did not cause any appreciable alteration in sulfidation resistance. Pre-oxidation of the FeCrAl and FeCrAlY alloys resulted in an extended

Sulfide phase in the Fe-Ti-S and Fe-C-Ti-S alloys

International Nuclear Information System (INIS)

Malinochka, Ya.N.; Balakina, N.A.; Shmelev, Yu.S.

1976-01-01

The nature of the sulfide phases in Fe-Ti-S and Fe-C-Ti-S alloys was studied. The carbide and the sulfide phase were identified the aid of X-ray spectral microanalysis. It was established that for a small content of titanium and sulfur in ternary Fe-Ti-S alloys the solidification of the γ-solution on the boundaries of dendritic branches is accompanied, along with the precipitation of a sulfide rich in iron of the (Fe, Ti) S type where a small quantity of titanium is dissolved, by the formation of a titanium-bearing sulfide eutectic γ + TiS. The amount of the sulfide eutectic increases with the contents of titanium and sulfur until a purely eutectic alloy is formed. Both carbides and sulfides may be formed in the solidification of quaternary alloys Fe-C-Ti-S

Microstructure of Fe-Cr-C hardfacing alloys with additions of Nb, Ti and, B

International Nuclear Information System (INIS)

Berns, H.; Fischer, A.

1987-01-01

The abrasive wear of machine parts and tools used in the mining, earth moving, and transporting of mineral materials can be lowered by filler wire welding of hardfacing alloys. In this paper, the microstructures of Fe-Cr-C and Fe-Cr-C-Nb/Ti hardfacing alloys and deposits and those of newly developed Fe-Cr-C-B and Fe-Ti-Cr-C-B ones are described. They show up to 85 vol.% of primarily solidified coarse hard phases; i.e., Carbides of MC-, M/sub 7/C/sub 3/-, M/sub 3/C-type and Borides of MB/sub 2/-, M/sub 3/B/sub 2/-, M/sub 2/B-, M/sub 3/B-, M/sub 23/B/sub 6/-type, which are embedded in a hard eutectic. This itself consists of eutectic hard phases and a martensitic or austenitic metal matrix. The newly developed Fe-Cr-C-B alloys reach hardness values of up to 1200 HV and are harder than all purchased ones. The primary solidification of the MB/sub 2/-type phase of titanium requires such high amounts of titanium and boron that these alloys are not practical for manufacture as commercial filler wires

Mechanochemical synthesis of nanocrystalline Fe and Fe–B magnetic alloys

International Nuclear Information System (INIS)

Mohammadi, Majid; Ghasemi, Ali; Tavoosi, Majid

2016-01-01

Mechanochemical synthesis and magnetic characterization of nanocrystalline Fe and Fe–B magnetic alloys was the goal of this study. In this regard, different Fe_2O_3–B_2O_3 powder mixtures with sufficient amount of CaH_2 were milled in a planetary ball mill in order to produce nanocrystalline Fe, Fe_9_5B_5 and Fe_8_5B_1_5 alloys. The produced samples were characterized using X-ray diffraction (XRD), differential scanning calorimetry (DSC), scanning electron microscopy (SEM) and vibrating sample magnetometer (VSM). The results showed that, nanocrystalline Fe, Fe_9_5B_5 and Fe_8_5B_1_5 alloys can be successfully synthesized by the reduction reaction of Fe_2O_3 and B_2O_3 with CaH_2 during mechanical alloying. The structure of produced Fe_9_5B_5 and Fe_8_5B_1_5 alloys was a combination of Fe and Fe_2B phases with average crystallite sizes of about 15 and 10 nm, respectively. The produced nanocrystalline alloys exhibited soft magnetic properties with the coercivity and saturation of magnetization in the range of 170–240 Oe and 9–28 emu/g, respectively. Increasing the boron content has a destructive effect on soft magnetic properties of Fe–B alloys. - Highlights: • We study the mechanochemical synthesis of nanocrystalline boron, Fe and Fe–B alloys. • We study the reduction reaction of B_2O_3–CaH_2 during milling. • We study the reduction reaction of Fe_2O_3–CaH_2 during milling. • We study the reduction reaction of Fe_2O_3–B_2O_3–CaH_2 during milling. • We study the effect of B on magnetic properties of nanocrystalline Fe–B alloys.

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.

Nanocrystalline Fe-Pt alloys. Phase transformations, structure and magnetism

Energy Technology Data Exchange (ETDEWEB)

Lyubina, J.V.

2006-12-21

This work has been devoted to the study of phase transformations involving chemical ordering and magnetic properties evolution in bulk Fe-Pt alloys composed of nanometersized grains. Nanocrystalline Fe{sub 100-x}Pt{sub x} (x=40-60) alloys have been prepared by mechanical ball milling of elemental Fe and Pt powders at liquid nitrogen temperature. The as-milled Fe-Pt alloys consist of {proportional_to} 100 {mu}m sized particles constituted by randomly oriented grains having an average size in the range of 10-40 nm. Depending on the milling time, three major microstructure types have been obtained: samples with a multilayer-type structure of Fe and Pt with a thickness of 20-300 nm and a very thin (several nanometers) A1 layer at their interfaces (2 h milled), an intermediate structure, consisting of finer lamellae of Fe and Pt (below approximately 100 nm) with the A1 layer thickness reaching several tens of nanometers (4 h milled) and alloys containing a homogeneous A1 phase (7 h milled). Subsequent heat treatment at elevated temperatures is required for the formation of the L1{sub 0} FePt phase. The ordering develops via so-called combined solid state reactions. It is accompanied by grain growth and thermally assisted removal of defects introduced by milling and proceeds rapidly at moderate temperatures by nucleation and growth of the ordered phases with a high degree of the long-range order. In a two-particle interaction model elaborated in the present work, the existence of hysteresis in recoil loops has been shown to arise from insufficient coupling between the low- and the high-anisotropy particles. The model reveals the main features of magnetisation reversal processes observed experimentally in exchange-coupled systems. Neutron diffraction has been used for the investigation of the magnetic structure of ordered and partially ordered nanocrystalline Fe-Pt alloys. (orig.)

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

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.

In vitro corrosion properties and cytocompatibility of Fe-Ga alloys as potential biodegradable metallic materials

Energy Technology Data Exchange (ETDEWEB)

Wang, Henan; Zheng, Yang; Liu, Jinghua; Jiang, Chengbao; Li, Yan, E-mail: liyan@buaa.edu.cn

2017-02-01

The in vitro biodegradable properties and cytocompatibility of Fe-Ga alloys including Fe{sub 81}Ga{sub 19}, (Fe{sub 81}Ga{sub 19}){sub 98}B{sub 2} and (Fe{sub 81}Ga{sub 19}){sub 99.5}(TaC){sub 0.5}, and pure Fe were investigated for biomedical applications. The microstructure of the alloys was characterized using X-ray diffraction spectroscopy and optical microscopy. The results showed that A2 and D0{sub 3} phases were detected for the three types of Fe-Ga alloys, and additional Fe{sub 2}B and TaC phases were found in the (Fe{sub 81}Ga{sub 19}){sub 98}B{sub 2} and (Fe{sub 81}Ga{sub 19}){sub 99.5}(TaC){sub 0.5} alloys, respectively. The corrosion rates of the Fe-Ga alloys were higher than that of pure Fe, as demonstrated by both potentiodynamic polarization measurements and immersion tests in simulated body fluid. The alloying element Ga lowered the corrosion potential of the Fe matrix and made it more susceptible to corrosion. Severe pitting corrosion developed on the surface of the Fe{sub 81}Ga{sub 19} alloy after the addition of ternary B or TaC due to the multi-phase microstructures. The MC3T3-E1 cells exhibited good adhesion and proliferation behavior on the surfaces of the Fe-Ga alloys after culture for 4 h and 24 h. - Highlights: • Fe-Ga alloys showed a higher degradation rate than pure Fe. • Fe-Ga alloys exhibited good cytocompatibility for the MC3T3-E1 cells. • The MC3T3-E1 cells were tolerable to the corrosion products of Fe-Ga alloys.

Fabrication, magnetostriction properties and applications of Tb-Dy-Fe alloys: a review

Directory of Open Access Journals (Sweden)

Nai-juan Wang

2016-03-01

Full Text Available As an excellent giant-magnetostrictive material, Tb-Dy-Fe alloys (based on Tb0.27-0.30Dy0.73-0.70Fe1.9-2 Laves compound can be applied in many engineering fields, such as sonar transducer systems, sensors, and micro-actuators. However, the cost of the rare earth elements Tb and Dy is too high to be widely applied for the materials. Nowadays, there are two different ways to substitute for these alloying elements. One is to partially replace Tb or Dy by cheaper rare earth elements, such as Pr, Nd, Sm and Ho; and the other is to use non-rare earth elements, such as Co, Al, Mn, Si, Ce, B, Be and C, to substitute Fe to form single MgCu2-type Laves phase and a certain amount of Re-rich phase, which can reduce the brittleness and improve the corrosion resistance of the alloy. This paper systemically introduces the development, the fabrication methods and the corresponding preferred growth directions of Tb-Dy-Fe alloys. In addition, the effects of alloying elements and heat treatment on magnetostrictive and mechanical properties of Tb-Dy-Fe alloys are also reviewed, respectively. Finally, some possible applications of Tb-Dy-Fe alloys are presented.

Thermodynamic analysis of binary Fe{sub 85}B{sub 15} to quinary Fe{sub 85}Si{sub 2}B{sub 8}P{sub 4}Cu{sub 1} alloys for primary crystallizations of α-Fe in nanocrystalline soft magnetic alloys

Energy Technology Data Exchange (ETDEWEB)

Takeuchi, A., E-mail: takeuchi@imr.tohoku.ac.jp; Zhang, Y.; Takenaka, K.; Makino, A. [Institute for Materials Research, Tohoku University, Sendai 980-8577 (Japan)

2015-05-07

Fe-based Fe{sub 85}B{sub 15}, Fe{sub 84}B{sub 15}Cu{sub 1}, Fe{sub 82}Si{sub 2}B{sub 15}Cu{sub 1}, Fe{sub 85}Si{sub 2}B{sub 12}Cu{sub 1}, and Fe{sub 85}Si{sub 2}B{sub 8}P{sub 4}Cu{sub 1} (NANOMET{sup ®}) alloys were experimental and computational analyzed to clarify the features of NANOMET that exhibits high saturation magnetic flux density (B{sub s}) nearly 1.9 T and low core loss than conventional nanocrystalline soft magnetic alloys. The X-ray diffraction analysis for ribbon specimens produced experimentally by melt spinning from melts revealed that the samples were almost formed into an amorphous single phase. Then, the as-quenched samples were analyzed with differential scanning calorimeter (DSC) experimentally for exothermic enthalpies of the primary and secondary crystallizations (ΔH{sub x1} and ΔH{sub x2}) and their crystallization temperatures (T{sub x1} and T{sub x2}), respectively. The ratio ΔH{sub x1}/ΔH{sub x2} measured by DSC experimentally tended to be extremely high for the Fe{sub 85}Si{sub 2}B{sub 8}P{sub 4}Cu{sub 1} alloy, and this tendency was reproduced by the analysis with commercial software, Thermo-Calc, with database for Fe-based alloys, TCFE7 for Gibbs free energy (G) assessments. The calculations exhibit that a volume fraction (V{sub f}) of α-Fe tends to increase from 0.56 for the Fe{sub 85}B{sub 15} to 0.75 for the Fe{sub 85}Si{sub 2}B{sub 8}P{sub 4}Cu{sub 1} alloy. The computational analysis of the alloys for G of α-Fe and amorphous phases (G{sub α-Fe} and G{sub amor}) shows that a relationship G{sub α-Fe} ∼ G{sub amor} holds for the Fe{sub 85}Si{sub 2}B{sub 12}Cu{sub 1}, whereas G{sub α-Fe} < G{sub amor} for the Fe{sub 85}Si{sub 2}B{sub 8}P{sub 4}Cu{sub 1} alloy at T{sub x1} and that an extremely high V{sub f} = 0.75 was achieved for the Fe{sub 85}Si{sub 2}B{sub 8}P{sub 4}Cu{sub 1} alloy by including 2.8 at. % Si and 4.5 at. % P into α-Fe. These computational results indicate that the Fe{sub 85}Si{sub 2}B

Mechanochemical synthesis of nanocrystalline Fe and Fe–B magnetic alloys

Energy Technology Data Exchange (ETDEWEB)

Mohammadi, Majid; Ghasemi, Ali, E-mail: ali13912001@yahoo.com; Tavoosi, Majid

2016-12-01

Mechanochemical synthesis and magnetic characterization of nanocrystalline Fe and Fe–B magnetic alloys was the goal of this study. In this regard, different Fe{sub 2}O{sub 3}–B{sub 2}O{sub 3} powder mixtures with sufficient amount of CaH{sub 2} were milled in a planetary ball mill in order to produce nanocrystalline Fe, Fe{sub 95}B{sub 5} and Fe{sub 85}B{sub 15} alloys. The produced samples were characterized using X-ray diffraction (XRD), differential scanning calorimetry (DSC), scanning electron microscopy (SEM) and vibrating sample magnetometer (VSM). The results showed that, nanocrystalline Fe, Fe{sub 95}B{sub 5} and Fe{sub 85}B{sub 15} alloys can be successfully synthesized by the reduction reaction of Fe{sub 2}O{sub 3} and B{sub 2}O{sub 3} with CaH{sub 2} during mechanical alloying. The structure of produced Fe{sub 95}B{sub 5} and Fe{sub 85}B{sub 15} alloys was a combination of Fe and Fe{sub 2}B phases with average crystallite sizes of about 15 and 10 nm, respectively. The produced nanocrystalline alloys exhibited soft magnetic properties with the coercivity and saturation of magnetization in the range of 170–240 Oe and 9–28 emu/g, respectively. Increasing the boron content has a destructive effect on soft magnetic properties of Fe–B alloys. - Highlights: • We study the mechanochemical synthesis of nanocrystalline boron, Fe and Fe–B alloys. • We study the reduction reaction of B{sub 2}O{sub 3}–CaH{sub 2} during milling. • We study the reduction reaction of Fe{sub 2}O{sub 3}–CaH{sub 2} during milling. • We study the reduction reaction of Fe{sub 2}O{sub 3}–B{sub 2}O{sub 3}–CaH{sub 2} during milling. • We study the effect of B on magnetic properties of nanocrystalline Fe–B alloys.

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

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.

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

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.

Microstructural and magnetic characterization of iron precipitation in Ni-Fe-Al alloys

International Nuclear Information System (INIS)

Duman, Nagehan; Mekhrabov, Amdulla O.; Akdeniz, M. Vedat

2011-01-01

The influence of annealing on the microstructural evolution and magnetic properties of Ni 50 Fe x Al 50-x alloys for x = 20, 25, and 30 has been investigated. Solidification microstructures of as-cast alloys reveal coarse grains of a single B2 type β-phase and typical off eutectic microstructure consisting of proeutectic B2 type β dendrites and interdendritic eutectic for x = 20 and x > 20 at.% Fe respectively. However, annealing at 1073 K results in the formation of FCC γ-phase particles along the grain boundaries as well as grain interior in x = 20 at.% Fe alloy. The volume fraction of interdentritic eutectic regions tend to decrease and their morphologies start to degenerate by forming FCC γ-phase for x > 20 at.% Fe alloys with increasing annealing temperatures. Increasing Fe content of alloys induce an enhancement in magnetization and a rise in the Curie transition temperature (T C ). Temperature scan magnetic measurements and transmission electron microscopy reveal that a transient rise in the magnetization at temperatures well above the T C of the alloys would be attributed to the precipitation of a nano-scale ferromagnetic BCC α-Fe phase. Retained magnetization above the Curie transition temperature of alloy matrix, together with enhanced room temperature saturation magnetization of alloys annealed at favorable temperatures support the presence of ferromagnetic precipitates. These nano-scale precipitates are shown to induce significant precipitation hardening of the β-phase in conjunction with enhanced room temperature saturation magnetization in particular when an annealing temperature of 673 K is used. - Research Highlights: → Evolution of microstructure and magnetic properties with varying Fe content. → Transient rise in magnetization via the formation of ferromagnetic phase. → Enhancements in saturation magnetization owing to precipitated ferromagnetic phase. → Nanoscale precipitation of ferromagnetic BCC α-Fe confirmed by TEM. �

Hyperfine-field distribution in Fe3Si/sub 1-x/Al/sub x/ alloys and a theoretical interpretation

International Nuclear Information System (INIS)

Burch, T.J.; Raj, K.; Jena, P.; Budnick, J.I.; Niculescu, V.; Muir, W.B.

1979-01-01

In Fe 3 Si/sub 1-x/Al/sub x/ alloys with small x the Si and Al nuclear magnetic resonances are 31.5 and 16.1 MHz, respectively. The concentration dependences of the frequencies of these resonances are linear, the Si resonance shifting to lower frequencies, the Al resonance to higher frequencies. Both the magnitudes and concentration dependences of the Si and Al internal fields are in agreement with the predictions of a simple model which Jena and Geldart, following the approach of Daniel and Friedel, have found successful in calculating the fields of sp elements in Heusler alloys. A positive sign is predicted for the Si internal field, and a negative sign for the Al field. Magnetization and lattice-parameter data required for the comparison of experiment and theory are also reported

Pack cementation diffusion coatings for Fe-base and refractory alloys. Final report

Energy Technology Data Exchange (ETDEWEB)

Rapp, R.A. [Ohio State Univ., Columbus, OH (United States). Dept. of Materials Science and Engineering

1998-03-10

With the aid of computer-assisted calculations of the equilibrium vapor pressures in halide-activated cementation packs, processing conditions have been identified and experimentally verified for the codeposition of two or more alloying elements in a diffusion coating on a variety of steels and refractory metal alloys. A new comprehensive theory to treat the multi-component thermodynamic equilibria in the gas phase for several coexisting solid phases was developed and used. Many different processes to deposit various types of coatings on several types of steels were developed: Cr-Si codeposition for low- or medium-carbon steels, Cr-Al codeposition on low-carbon steels to yield either a Kanthal-type composition (Fe-25Cr-4Al in wt.%) or else a (Fe, Cr){sub 3}Al surface composition. An Fe{sub 3}Al substrate was aluminized to achieve an FeAl surface composition, and boron was also added to ductilize the coating. The developmental Cr-lean ORNL alloys with exceptional creep resistance were Cr-Al coated to achieve excellent oxidation resistance. Alloy wires of Ni-base were aluminized to provide an average composition of Ni{sub 3}Al for use as welding rods. Several different refractory metal alloys based on Cr-Cr{sub 2}Nb have been silicided, also with germanium additions, to provide excellent oxidation resistance. A couple of developmental Cr-Zr alloys were similarly coated and tested.

Damage rates in neutron irradiated FeCo and FeCo2V ordered and disordered alloys

International Nuclear Information System (INIS)

Riviere, J.P.; Dinhut, J.F.

1979-01-01

Ordered and disordered samples of FeCo and FeCo2V alloys have been irradiated at liquid hydrogen temperature with fission neutrons up to an integrated dose of about 7.2 x 10 17 n/cm 2 (E > 1 MeV). During the irradiation, the resistivity increases continuously due to point defect production. (author)

Mechanical properties of Fe-Ni-Cr-Si-B bulk glassy alloy

International Nuclear Information System (INIS)

Lee, Kee Ahn; Kim, Yong Chan; Kim, Jung Han; Lee, Chong Soo; Namkung, Jung; Kim, Moon Chul

2007-01-01

The mechanical properties and crystallization behavior of new Fe-Ni-Cr-Si-B-based bulk glassy alloys were investigated. The suitability of the continuous roll casting method for the production of bulk metallic glass (BMG) sheets in such alloy systems was also examined. BMG samples (Fe-Ni-Cr-Si-B, Fe-Ni-Zr-Cr-Si-B, Fe-Ni-Zr-Cr-W-Si-B) in amorphous strip, cylindrical, and sheet forms were prepared through melt spinning, copper mold casting, and twin roll strip casting, respectively. Fe-Ni-Cr-Si-B alloy exhibited compressive strength of up to 2.93 GPa and plastic strain of about 1.51%. On the other hand, the Fe-Ni-Zr-Cr-Si-B, composite-type bulk sample with diameter of 2.0 mm showed remarkable compressive plastic strain of about 4.03%. The addition of zirconium was found to enhance the homogeneous precipitation of nanocrystalline less than 7 nm and to develop a hybrid-composite microstructure with increasing sample thickness. Twin roll strip casting was successfully applied to the fabrication of sheets in Fe-Ni-Cr-Si-B-based BMGs. The combined characteristics of high mechanical properties and ease of microstructure control proved to be promising in terms of the future progress of structural bulk amorphous alloys

Mechanical properties of Fe-Ni-Cr-Si-B bulk glassy alloy

Energy Technology Data Exchange (ETDEWEB)

Lee, Kee Ahn [School of Advanced Materials Engineering, Andong National University, Andong 760-749 (Korea, Republic of)]. E-mail: keeahn@andong.ac.kr; Kim, Yong Chan [New Metals Research Team, RIST, Pohang 790-330 (Korea, Republic of); Kim, Jung Han [Center for Advanced Aerospace materials, POSTECH, Pohang 790-784 (Korea, Republic of); Lee, Chong Soo [Center for Advanced Aerospace materials, POSTECH, Pohang 790-784 (Korea, Republic of); Namkung, Jung [New Metals Research Team, RIST, Pohang 790-330 (Korea, Republic of); Kim, Moon Chul [New Metals Research Team, RIST, Pohang 790-330 (Korea, Republic of)

2007-03-25

The mechanical properties and crystallization behavior of new Fe-Ni-Cr-Si-B-based bulk glassy alloys were investigated. The suitability of the continuous roll casting method for the production of bulk metallic glass (BMG) sheets in such alloy systems was also examined. BMG samples (Fe-Ni-Cr-Si-B, Fe-Ni-Zr-Cr-Si-B, Fe-Ni-Zr-Cr-W-Si-B) in amorphous strip, cylindrical, and sheet forms were prepared through melt spinning, copper mold casting, and twin roll strip casting, respectively. Fe-Ni-Cr-Si-B alloy exhibited compressive strength of up to 2.93 GPa and plastic strain of about 1.51%. On the other hand, the Fe-Ni-Zr-Cr-Si-B, composite-type bulk sample with diameter of 2.0 mm showed remarkable compressive plastic strain of about 4.03%. The addition of zirconium was found to enhance the homogeneous precipitation of nanocrystalline less than 7 nm and to develop a hybrid-composite microstructure with increasing sample thickness. Twin roll strip casting was successfully applied to the fabrication of sheets in Fe-Ni-Cr-Si-B-based BMGs. The combined characteristics of high mechanical properties and ease of microstructure control proved to be promising in terms of the future progress of structural bulk amorphous alloys.

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.

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.

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.

Formation of modified TbCu{sub 7} and Th{sub 2}Zn{sub 17} type structures during annealing of mechanical-alloyed Sm-Fe powders

Energy Technology Data Exchange (ETDEWEB)

Teresiak, A.; Kubis, M.; Mattern, N.; Wolf, M.; Mueller, K.-H. [Inst. fuer Festkoerper- und Werkstofforschung, Dresden (Germany)

1998-06-26

Compounds with the nominal composition near Sm{sub 2}Fe{sub 17} were prepared by mechanical alloying starting from the elemental powders and subsequent annealing at temperatures, T{sub A}, between 600 C and 900 C. For crystal structure investigations of the non-equilibrium phases formed at various temperatures, XRD methods with following Rietveld analysis were applied. For T{sub A} between 600 C and 750 C a modified TbCu{sub 7}-type structure of space group P6/mmm was found, in which the Fe(2c) site is replaced by the partially (1/3) and randomly occupied Fe(6l) site. Its approximate composition is SmFe{sub 8.8-9.0}. For T{sub A} between 800 C to 900 C a disordered modified Th{sub 2}Zn{sub 17} structure (space group R anti 3m) was found that is formed by introducing additional randomly occupied Fe (6c) and Sm(3a) positions, respectively. The degree of order of Sm atoms and Fe-dumbbells along the c-direction increases with increasing T{sub A}. A decrease in the Fe concentration in the cell is observed for increasing T{sub A}. The completely ordered stoichiometric Th{sub 2}Zn{sub 17}-type structure could not be reached by annealing samples prepared from the ball-milled elemental powders. (orig.) 20 refs.

Amorphization of Fe-based alloy via wet mechanical alloying assisted by PCA decomposition

Energy Technology Data Exchange (ETDEWEB)

Neamţu, B.V., E-mail: Bogdan.Neamtu@stm.utcluj.ro [Materials Science and Engineering Department, Technical University of Cluj-Napoca, 103-105, Muncii Avenue, 400641, Cluj-Napoca (Romania); Chicinaş, H.F.; Marinca, T.F. [Materials Science and Engineering Department, Technical University of Cluj-Napoca, 103-105, Muncii Avenue, 400641, Cluj-Napoca (Romania); Isnard, O. [Université Grenoble Alpes, Institut NEEL, F-38042, Grenoble (France); CNRS, Institut NEEL, 25 rue des martyrs, BP166, F-38042, Grenoble (France); Pană, O. [National Institute for Research and Development of Isotopic and Molecular Technologies, 65-103 Donath Street, 400293, Cluj-Napoca (Romania); Chicinaş, I. [Materials Science and Engineering Department, Technical University of Cluj-Napoca, 103-105, Muncii Avenue, 400641, Cluj-Napoca (Romania)

2016-11-01

Amorphization of Fe{sub 75}Si{sub 20}B{sub 5} (at.%) alloy has been attempted both by wet and dry mechanical alloying starting from a mixture of elemental powders. Powder amorphization was not achieved even after 140 hours of dry mechanical alloying. Using the same milling parameters, when wet mechanical alloying was used, the powder amorphization was achieved after 40 h of milling. Our assumption regarding the powder amorphization capability enhancement by contamination with carbon was proved by X-ray Photoelectron Spectroscopy (XPS) measurements which revealed the presence of carbon in the chemical composition of the wet mechanically alloyed sample. Using shorter milling times and several process control agents (PCA) (ethanol, oleic acid and benzene) with different carbon content it was proved that the milling duration required for powder amorphization is linked to the carbon content of the PCA. Differential Scanning Calorimetry (DSC), thermomagnetic (TG) and X-ray Diffraction (XRD) measurements performed to the heated samples revealed the fact that, the crystallisation occurs at 488 °C, thus leading to the formation of Fe{sub 3}Si and Fe{sub 2}B. Thermogravimetry measurements performed under H{sub 2} atmosphere, showed the same amount of contamination with C, which is about 2.3 wt%, for the amorphous samples regardless of the type of PCA. Saturation magnetisation of the wet milled samples decreases upon increasing milling time. In the case of the amorphous samples wet milled with benzene up to 20 h and with oleic acid up to 30 h, the saturation magnetisation has roughly the same value, indicating the same degree of contamination. The XRD performed on the samples milled using the same parameters, revealed that powder amorphization can be achieved even via dry milling, just by adding the equivalent amount of elemental C calculated from the TG plots. This proves that in this system by considering the atomic species which can contaminate the powder, they can be

Corrosion behavior of electrodeposited Co-Fe alloys in aerated solutions

Energy Technology Data Exchange (ETDEWEB)

Chansena, A. [Research Unit on Corrosion, College of Data Storage Innovation, King Mongkut' s Institute of Technology Ladkrabang, Bangkok 10520 (Thailand); Sutthiruangwong, S., E-mail: sutha.su@kmitl.ac.th [Department of Chemistry, Faculty of Science, King Mongkut' s Institute of Technology Ladkrabang, Bangkok 10520 (Thailand); Research Unit on Corrosion, College of Data Storage Innovation, King Mongkut' s Institute of Technology Ladkrabang, Bangkok 10520 (Thailand)

2017-05-01

Co-Fe alloy is an important component for reader-writer in hard disk drive. The surface of the alloy is exposed to the environment both in gas phase and in liquid phase during manufacturing process. The study of corrosion behavior of Co-Fe alloys can provide useful fundamental data for reader-writer production planning especially when corrosion becomes a major problem. The corrosion study of electrodeposited Co-Fe alloys from cyclic galvanodynamic polarization was performed using potentiodynamic polarization technique. The composition of electrodeposited Co-Fe alloys was determined by X-ray fluorescence spectrometry. The patterns from X-ray diffractometer showed that the crystal structure of electrodeposited Co-Fe alloys was body-centered cubic. A vibrating sample magnetometer was used for magnetic measurements. The saturation magnetization (M{sub s}) was increased and the intrinsic coercivity (H{sub ci}) was decreased with increasing Fe content. The corrosion rate study was performed in aerated deionized water and aerated acidic solutions at pH 3, 4 and 5. The corrosion rate diagram for Co-Fe alloys was constructed. It was found that the corrosion rate of Co-Fe alloys was increased with increasing Fe content in both aerated deionized water and aerated acidic solutions. In aerated pH 3 solution, the Co-Fe alloy containing 78.8% Fe showed the highest corrosion rate of 7.7 mm yr{sup −1} with the highest M{sub s} of 32.0 A m{sup 2} kg{sup −1}. The corrosion rate of the alloy with 23.8% Fe was at 1.1 mm yr{sup −1} with M{sub s} of 1.2 A m{sup 2} kg{sup −1}. In aerated deionized water, the alloy with the highest Fe content of 78.5% still showed the highest corrosion rate of 0.0059 mm yr{sup −1} while the alloy with the lowest Fe content of 20.4% gave the lowest corrosion rate of 0.0045 mm yr{sup −1}. - Highlights: • The aeration during corrosion measurement simulates reader-writer head production environment. • The corrosion rate diagram for Co-Fe alloys

Microstructural characterization of Y2O3 ODS-Fe-Cr model alloys

International Nuclear Information System (INIS)

Castro, V. de; Leguey, T.; Munoz, A.; Monge, M.A.; Pareja, R.; Marquis, E.A.; Lozano-Perez, S.; Jenkins, M.L.

2009-01-01

Two Fe-12 wt% Cr alloys, one containing 0.4 wt% Y 2 O 3 and the other Y 2 O 3 -free, have been produced by mechanical alloying followed by hot isostatic pressing. These oxide dispersion strengthened and reference alloys were characterized both in the as-HIPed state and after tempering by transmission electron microscopy and atom-probe tomography. The as-HIPed alloys exhibited the characteristic microstructure of lath martensite and contained a high density of dislocations. Small voids with sizes 3 C and M 23 C 6 carbides (M = Cr, Fe) probably as a result of C ingress during milling. After tempering at 1023 K for 4 h the microstructures had partially recovered. In the recovered regions, martensite laths were replaced by equiaxed grains in which M 23 C 6 carbides decorated the grain boundaries. In the ODS alloy nanoparticles containing Y were commonly observed within grains, although they were also present at grain boundaries and adjacent to large carbides.

Spectro-photometric determinations of Mn, Fe and Cu in aluminum master alloys

Science.gov (United States)

Rehan; Naveed, A.; Shan, A.; Afzal, M.; Saleem, J.; Noshad, M. A.

2016-08-01

Highly reliable, fast and cost effective Spectro-photometric methods have been developed for the determination of Mn, Fe & Cu in aluminum master alloys, based on the development of calibration curves being prepared via laboratory standards. The calibration curves are designed so as to induce maximum sensitivity and minimum instrumental error (Mn 1mg/100ml-2mg/100ml, Fe 0.01mg/100ml-0.2mg/100ml and Cu 2mg/100ml-10mg/ 100ml). The developed Spectro-photometric methods produce accurate results while analyzing Mn, Fe and Cu in certified reference materials. Particularly, these methods are suitable for all types of Al-Mn, Al-Fe and Al-Cu master alloys (5%, 10%, 50% etc. master alloys).Moreover, the sampling practices suggested herein include a reasonable amount of analytical sample, which truly represent the whole lot of a particular master alloy. Successive dilution technique was utilized to meet the calibration curve range. Furthermore, the workout methods were also found suitable for the analysis of said elements in ordinary aluminum alloys. However, it was observed that Cush owed a considerable interference with Fe, the later one may not be accurately measured in the presence of Cu greater than 0.01 %.

Structural and magnetic study of mechanically deformed Fe rich FeAlSi ternary alloys

International Nuclear Information System (INIS)

Legarra, E.; Apiñaniz, E.; Plazaola, F.

2012-01-01

Highlights: ► Addition of Si to binary Fe–Al alloys makes the disordering more difficult. ► Si addition opposes the large volume increase found in FeAl alloys with deformation. ► Disordering induces a redistribution of non-ferrous atoms around Fe atoms in Fe 75 Al 25−x Si x and Fe 70 Al 30−x Si x . ► Addition of Si to binary Fe 75 Al 25 and Fe 70 Al 30 alloys opposes the magnetic behavior induced by Al in the magnetism of Fe. ► Si inhibits the para-ferro transition found in Fe 60 Al 40 alloy with disordering. - Abstract: In this work we study systematically the influence of different Al/Si ratios on the magnetic and structural properties of mechanically disordered powder Fe 75 Al 25−x Si x , Fe 70 Al 30−x Si x and Fe 60 Al 40−x Si x alloys by means of Mössbauer spectroscopy, X-ray diffraction and magnetic measurements. In order to obtain different stages of disorder the alloys were deformed by different methods: crushing induction melted alloys and ball milling annealed (ordered) alloys using different number of balls and speed. X-ray and Mössbauer data show that mechanical deformation induces the disordered A2 structure in these alloys. The results indicate that addition of Si to binary Fe–Al alloys makes the disordering more difficult. In addition, X-ray diffraction patterns show that the normalized lattice parameter variation of the disordered alloys of each composition decreases monotonically with Si content, indicating clearly that Si addition opposes the large volume increase found in FeAl alloys with deformation. The study of the hyperfine fields indicates that there is a redistribution of non-ferrous atoms around Fe atoms with the disordering; indeed, there is an inversion of the behavior of the hyperfine field of the Fe atoms. On the other hand, the magnetic measurements indicate that addition of Si to binary Fe 75 Al 25 and Fe 70 Al 30 alloys opposes the magnetic behavior induced by Al in the magnetism of Fe.

Coercivity and nanostructure of melt-spun Ti-Fe-Co-B-based alloys

Directory of Open Access Journals (Sweden)

W. Y. Zhang

2016-05-01

Full Text Available Nanocrystalline Ti-Fe-Co-B-based alloys, prepared by melt spinning and subsequent annealing, have been characterized structurally and magnetically. X-ray diffraction and thermomagnetic measurements show that the ribbons consist of tetragonal Ti3(Fe,Co5B2, FeCo-rich bcc, and NiAl-rich L21 phases; Ti3(Fe,Co5B2, is a new substitutional alloy series whose end members Ti3Co5B2 and Ti3Fe5B2 have never been investigated magnetically and may not even exist, respectively. Two compositions are considered, namely Ti11+xFe37.5-0.5xCo37.5−0.5xB14 (x = 0, 4 and alnico-like Ti11Fe26Co26Ni10Al11Cu2B14, the latter also containing an L21-type alloy. The volume fraction of the Ti3(Fe,Co5B2 phase increases with x, which leads to a coercivity increase from 221 Oe for x = 0 to 452 Oe for x = 4. Since the grains are nearly equiaxed, there is little or no shape anisotropy, and the coercivity is largely due to the magnetocrystalline anisotropy of the tetragonal Ti3(Fe,Co5B2 phase. The alloy containing Ni, Al, and Cu exhibits a magnetization of 10.6 kG and a remanence ratio of 0.59. Our results indicate that magnetocrystalline anisotropy can be introduced in alnico-like magnets, adding to shape anisotropy that may be induced by field annealing.

Compression of Fe-Si-H alloys

Science.gov (United States)

Tagawa, S.; Ohta, K.; Hirose, K.

2014-12-01

The light elements in the Earth's core have not been fully identified yet, but hydrogen is now collecting more attention in part because recent planet formation theory suggests that large amount of water should have been brought to the Earth during its formation (giant-impact stage). Nevertheless, the effect of hydrogen on the property of iron alloys is little known so far. The earlier experimental study by Hirao et al. [2004 GRL] examined the compression behavior of dhcp FeHx (x ≈ 1) and found that it becomes much stiffer than pure iron above 50 GPa, where magnetization disappears. Here we examined the solubility of hydrogen into iron-rich Fe-Si alloys and the compression behavior of dhcp Fe-Si-H alloy at room temperature. Fe+6.5wt.%Si or Fe+9wt.%Si foil was loaded into a diamond-anvil cell (DAC), and then liquid hydrogen was introduced at temperatures below 20 K. X-ray diffraction measurements at SPring-8 revealed the formation of a dhcp phase with or without thermal annealing by laser above 8.4 GPa. The concentration of hydrogen in such dhcp lattice was calculated following the formula reported by Fukai [1992]; y = 0.5 and 0.2 for Fe-6.5wt.%Si-H or Fe-9wt.%Si-H alloys, respectively when y is defined as Fe(1-x)SixHy. Unlike Fe-H alloy, hydrogen didn't fully occupy the octahedral sites even under hydrogen-saturated conditions in the case of Fe-Si-H system. Anomaly was observed in obtained pressure-volume curve around 44 Å3 of unit-cell volume for both Fe-6.5wt.%Si-H and Fe-9wt.%Si-H alloys, which may be related to the spin transition in the dhcp phase. They became slightly stiffer at higher pressures, but their compressibility was still similar to that of pure iron.

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.

Study of U - Pu - Fe alloys (Masurca critical experiment)

International Nuclear Information System (INIS)

Barthelemy, P.; Boucher, R.

1965-01-01

Three compositions have been studied: 73.5 U - 25 Pu - 1.5 Fe (weight %) 74 U - 25 Pu - 1 Fe 74.5 U - 25 Pu - 0.5 Fe Elaboration and Casting are easy. After two weeks in air 74.5 U - 25 Pu - 0.5 Fe alloys are reduced in powder. As-cast alloys containing 1 and 1,5% Fe are kept undamaged during several months. A rapid oxidisation of the alloys is however observed when the samples undergo the phase transformation (at 595 deg. C and 590 deg. C respectively). Ignition tests in the presence of air show that the oxidisation starts at about 250 deg. C and that the reaction does not spread. Ignition is not observed during heating from 20 to 660 deg. C. The transformation temperature, the melting temperature and the thermal expansion coefficients have been determined by dilatometry. Below the transformation temperature, the principal phases are U-Pu zeta and (U, Pu) 6 Fe. Thermal conductibility, Young modulus, density and heat of fusion have been measured. Compatibility tests show that between U-Pu-Fe and stainless steel a phase of (U, Pu) 6 Fe type is formed. The 74 U - 25 Pu - 1% Fe alloy seems to behave better than 73.5 U - 25 Pu - 1.5% Fe alloy because the (U, Pu) 6 Fe layer is two or three times smaller. Finally, the thermal stability has been studied with the 74 U - 25 Pu - 1% Fe alloy. A dilatometric anomaly (very weak expansion) occurs when the sample is heated above transformation temperature and cooled. But there is no anomaly by thermal cycling from 50 deg. C to 400 deg. C and there is no deterioration of alloys by heat treatments at 100 deg. C, 200 deg. C, 300 deg. C during 5 months under vacuum. (authors) [fr

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.

Effect of Fe Content on the Microstructure and Mechanical Properties of Ti-Al-Mo-V-Cr-Fe Alloys

Directory of Open Access Journals (Sweden)

Bae K.C.

2017-06-01

Full Text Available To investigate the effect of Fe content on the correlation between the microstructure and mechanical properties in near-b titanium alloys, the Ti-5Al-5Mo-5V-1Cr-xFe alloy system has been characterized in this study. As the Fe content increased, the number of nucleation sites and the volume fraction of the α phase decreased. We observed a significant difference in the shape and size of the α phase in the matrix before and after Fe addition. In addition, these morphological deformations were accompanied by a change in the shape of the α phase, which became increasingly discontinuous, and changed into globular-type α phase in the matrix. These phenomena affected the microstructure and mechanical properties of Ti alloys. Specimen #2 exhibited a high ultimate tensile strength (1071 MPa, which decreased with further addition of Fe.

Influence of Al7Cu2Fe intermetallic particles on the localized corrosion of high strength aluminum alloys

International Nuclear Information System (INIS)

Chemin, Aline; Marques, Denys; Bisanha, Leandro; Motheo, Artur de Jesus; Bose Filho, Waldek Wladimir; Ruchert, Cassius Olivio Figueiredo

2014-01-01

Highlights: • The corrosion on new aerospace aluminum alloy is studied. • Al 7 Cu 2 Fe precipitate was detected in the 7475-T7351 and 7081 T73511 alloy by scanning electron microscopy. • Al 7 Cu 2 Fe particles have different morphologies depending on the forming process. • Corrosion pitting occurs around Al 7 Cu 2 Fe precipitates in 7475-T7351 and 7081-T73511 alloys. - Abstract: The development of aluminum alloys of the Al–Zn–Mg–Cu system is the primary factor that enabled the evolution of aircraft. However, it has been shown that these alloys tend to undergo pitting corrosion due to the presence of elements such as iron, copper and silicon. Thus, the purpose of this study is to evaluate the behavior of the Al 7 Cu 2 Fe precipitate in 7475-T7351 and 7081-T73511 alloys based on microstructural characterization and polarization tests. The corrosion and pitting potentials were found to be very similar, and matrix dissolution occurred around the Al 7 Cu 2 Fe precipitate in both alloys, revealing the anodic behavior of the matrix

Study of the oxidation of Fe-Cr alloys at high temperatures

International Nuclear Information System (INIS)

Carneiro, J.F.; Sabioni, A.C.S.

2010-01-01

The high temperature oxidation behavior of Fe-1.5%Cr, Fe-5.0%Cr, Fe-10%Cr and Fe- 15%Cr model alloys were investigated from 700 to 850 deg C, in air atmosphere. The oxidation treatments were performed in a thermobalance with a sensitivity of 1μg. The oxide films grown by oxidation of the alloys were characterized by scanning electronic microscopy (SEM), energy dispersive X-ray spectroscopy (EDS) and X-ray diffraction (XRD). The oxide films are Fe-Cr spinels with variable composition depending on the alloy composition. For all conditions studied, the oxidation kinetics of these alloys follow a parabolic law. The comparison of the oxidation rates of the four alloys, at 700 deg C, shows that the parabolic oxidation constants decrease from 1.96x10 -9 g 2 .cm -4 .s -1 , for the alloy Fe-1.5% Cr, to 1.18 x 10-14g 2 .cm -4 .s -1 for the alloy Fe-15% Cr. Comparative analysis of the oxidation behavior of the Fe-10%Cr and Fe-15%Cr alloys, between 700 and 850 deg C, shows that the oxidation rates of these alloys are comparable to 800 deg C, above this temperature the Fe-10%Cr alloy shows lower resistance to oxidation. (author)

Resonant Ni and Fe KLL Auger spectra photoexcited from NiFe alloys

International Nuclear Information System (INIS)

Koever, L.; Cserny, I.; Berenyi, Z.; Egri, S.; Novak, M.

2005-01-01

Complete text of publication follows. KLL Auger spectra of 3d transition metal atoms in solid environment, measured using high energy resolution, give an insight into the details of the local electronic structure surrounding the particular atoms emitting the signal Auger electrons. Fine tuning the energy of the exciting monochromatic photons across the K-absorption edge, features characteristic to resonant phenomena can be identified in the spectra. The shapes of the resonantly photoexcited KLL Auger spectra induced from 3d transition metals and alloys are well interpreted by the single step model of the Auger process, based on the resonant scattering theory. The peak shapes are strongly influenced by the 4p partial density of unoccupied electronic states around the excited atom. High energy resolution studies of KLL Auger spectra of 3d transition metals using laboratory X-ray sources, however, request very demanding experiments and yield spectra of limited statistical quality making the evaluation of the fine details in the spectra difficult. The Tunable High Energy XPS (THE- XPS) instrument at BW2 offers optimum photon x and energy resolution for spectroscopy of deep core Auger transitions. For the present measurements high purity polycrystalline Ni and Fe sheets as well as NiFe alloy samples of different compositions (Ni 80 Fe 20 , Ni 50 Fe 50 , Ni 20 Fe 80 ) were used. The surfaces of the samples were cleaned by in-situ argon ion sputtering. The measurements of the Ni and Fe KL 23 L 23 Auger spectra of the metal and alloy samples were performed with the THE-XPS instrument using high electron energy resolution (0.2 eV). In Fig.1, the measured Fe KL 23 L 23 spectrum, photoexcited at the Fe K absorption edge from Fe metal, is compared with the respective spectrum excited from a Ni 50 Fe 50 alloy. A significant broadening of the 1 D 2 peak and an enhancement of the spectral intensity at the low energy loss part of this peak observed in the alloy sample, while the

Study on magnetic properties of (Nd0.8Ce0.2)2-xFe12Co2B (x = 0-0.6) alloys

Science.gov (United States)

Tan, G. S.; Xu, H.; Yu, L. Y.; Tan, X. H.; Zhang, Q.; Gu, Y.; Hou, X. L.

2017-09-01

In the present work, (Nd0.8Ce0.2)2-xFe12Co2B (x = 0-0.6) permanent alloys are prepared by melt-spinning method. The hard magnetic properties of (Nd0.8Ce0.2)2-xFe12Co2B (x = 0-0.6) alloys annealed at optimum temperatures have been investigated systematically. Depending on the Nd, Ce concentration, the maximum energy product ((BH)max) and remanence (Br) increase gradually with x in the range of 0 ≤ x ≤ 0.4, whereas decrease gradually in the alloys with 0.4 plays a certain role in the magnetization reversal behavior and can improve the microstructure of (Nd0.8Ce0.2)1.6Fe12Co2B alloy.

Mechanical alloying of an immiscible α-Fe2O3-SnO2 ceramic

DEFF Research Database (Denmark)

Jiang, Jianzhong; Lin, Rong; Mørup, Steen

1997-01-01

in the immiscible ceramic oxide system. X-ray diffraction and Mossbauer spectroscopy investigations show that mechanical milling of alpha-Fe2O3 and SnO2 involves alloying on an atomic scale and that true solid solution formation occurs. We suggest that the high defect concentration and the chemical enthalpy of Fe3......+-O2--Sn4+ interfaces between nanostructured alpha-Fe2O3 and SnO2 regions may serve as a driving force for the formation of a solid solution in the immiscible ceramic system....

Effect of nano-oxide layers on giant magnetoresistance in pseudo-spin-valves using Co2FeAl electrodes

International Nuclear Information System (INIS)

Zhang, D.L.; Xu, X.G.; Wu, Y.; Miao, J.; Jiang, Y.

2011-01-01

We studied the pseudo-spin-valves (PSVs) with a structure of Ta/Co 2 FeAl/NOL 1 /Co 2 FeAl/Cu/Co 2 FeAl/NOL 2 /Ta, where NOL represents the nano-oxide layer. Compared with the normal Co 2 FeAl (CFA) PSV with a structure of Ta/Co 2 FeAl/Cu/Co 2 FeAl/Ta, which shows only a current-in-plane (CIP) giant magnetoresistance (GMR) of 0.03%, the CFA PSV with NOLs shows a large CIP-GMR of 5.84%. The enhanced GMR by the NOLs inserted in the CFA PSV is due to the large specular reflection caused by [(CoO)(Fe 2 O 3 )(Al 2 O 3 )] in NOL 1 and [(Fe 2 O 3 )(Al 2 O 3 )(Ta 2 O 5 )] in NOL 2 . Another reason is that the roughness of the interface between Ta and CFA is improved by the oxidation procedure. - Research highlights: → Nano-oxide layers are applied in the pseudo-spin-valves with the Heusler alloy. → The CIP-GMR of pseudo-spin-valves is improved from 0.03% to 5.84%. → The GMR ratio is decided by the position of nano-oxide layers.

Recovery of point defects, created by neutron irradiation at 20 K, in ordered and disordered FeCo and FeCo2V alloys

International Nuclear Information System (INIS)

Dinhut, J.F.; Riviere, J.P.

1978-01-01

Samples of FeCo and FeCo2V ordered and disordered alloys were irradiated by fission neutrons at liquid hydrogen temperature up to an integrated dose of 7 x 10 17 n/cm 2 (E > 1 MeV), and then annealed. During the two first important recovery stages below 200 K, the annealing of about 60% of the radiation induced resistivity occurs. These two steps are respectively assigned to close pair recombination and rearrangement and detrapping of interstitials. During the annealing of the two other stages observed above 200 K, the migration and elimination of interstitials and vacancies involves ordering phenomena. These results and their interpretations are discussed in relation to those of pure metals and to those previously found in ordered and disordered alloys of the same type. (author)

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

Transient oxidation of Al-deposited Fe-Cr-Al alloy foil

International Nuclear Information System (INIS)

Andoh, A.

1997-01-01

The oxide phases formed on an Al-deposited Fe-Cr-Al alloy foil and an Fe-Cr-Al alloy foil of the same levels of Al and (La+Ce) contents, and their oxidation kinetics have been studied in air at 1173 and 1373 K using TGA, XRD and SEM. Al deposition promotes the growth of metastable aluminas (θ-Al 2 O 3 , γ-Al 2 O 3 ). Scales consisting of θ-Al 2 O 3 and a small amount of α-Al 2 O 3 develop on the Al-deposited foil at 1173 K and exhibit the whisker-type morphology. In the early stage of oxidation at 1373 K, thick scales consisting of θ-Al 2 O 3 and α-Al 2 O 3 grow rapidly on the Al-deposited foil. The transformation from θ-Al 2 O 3 to α-Al 2 O 3 is very fast, and the scales result in only α-Al 2 O 3 . In contrast, α-Al 2 O 3 scales containing a minor amount of FeAl 2 O 4 develop on the alloy foil. The growth rate of α-Al 2 O 3 scales on the Al-deposited foil is smaller than that on the alloy foil and very close to that on NiAl at 1373 K. (orig.)

Fe-Cr-Ni system alloys

International Nuclear Information System (INIS)

Levin, F.L.

1986-01-01

Phase diagram of Fe-Cr-Ni system, which is the basic one for production of corrosion resistant alloys, is considered. Data on corrosion resistance of such alloys are correlated depending on a number of factors: quality and composition of modifying elements, corrosion medium, temperature, alloy structure, mechanical and thermal treatment. Grades of Fe-Ni-Cr alloys are presented, and fields of their application are pointed out

Charge transfers in complex transition metal alloys (Ti2Fe)

International Nuclear Information System (INIS)

Abramovici, G.

1998-01-01

We introduce a new non-orthogonal tight-binding model, for complex alloys, in which electronic structure is characterized by charge transfers. We give the analytic calculation of a charge transfer, in which overlapping two-center terms are rigorously taken into account. Then, we apply numerically this result to an approximant phase of a quasicrystal of Ti 2 Fe alloy. This model is more particularly adapted to transition metals, and gives realistic densities of states. (orig.)

A polarized neutron study of the magnetization distribution in Co₂FeSi.

Science.gov (United States)

Brown, P J; Kainuma, R; Kanomata, T; Neumann, K-U; Okubo, A; Umetsu, R Y; Ziebeck, K R A

2013-05-22

The magnetization distribution in Co2FeSi which has the largest moment per formula unit ∼6 μB of all Heusler alloys, has been determined using polarized neutron diffraction. The experimentally determined magnetization has been integrated over spheres centred on the three sites of the L12 structure giving μ Fe = 3.10(3) μB and μ Co = 1.43(2) μB, results which are slightly lower than the moments in atomic spheres of similar radii obtained in recent LDA + U band structure calculations (Li et al 2010 Chin. Phys. B 19 097102). Approximately 50% of the magnetic carriers at the Fe sites were found to be in orbitals with eg symmetry. This was higher, ≃65%, at the Co sites. Both Fe and Co were found to have orbital moments that are larger than those predicted. Comparison with similar results obtained for related alloys suggests that there must be a finite density of states in both spin bands at the Fermi energy indicating that Co2FeSi is not a perfect half-metallic ferromagnet.

Surface morphology of scale on FeCrAl (Pd, Pt, Y) alloys

International Nuclear Information System (INIS)

Amano, T.; Takezawa, Y.; Shiino, A.; Shishido, T.

2008-01-01

The high temperature oxidation behavior of Fe-20Cr-4Al, floating zone refined (FZ) Fe-20Cr-4Al, Fe-20Cr-4Al-0.5Pd, Fe-20Cr-4Al-0.5Pt and Fe-20Cr-4Al-(0.01, 0.02, 0.05, 0.1, 0.2, 0.5)Y alloys was studied in oxygen for 0.6-18 ks at 1273-1673 K by mass gain measurements, X-ray diffraction and scanning electron microscopy. The mass gains of FeCrAl, FZ FeCrAl, FeCrAlPd and FeCrAlPt alloys showed almost the same values. Those of FeCrAl-(0.01, 0.02, 0.05, 0.1, 0.2, 0.5)Y alloys decreased with increasing yttrium of up to 0.1% followed by an increase with the yttrium content after oxidation for 18 ks at 1473 K. Needle-like oxide particles were partially observed on FeCrAl alloy after oxidation for 7.2 ks at 1273 K. These oxide particles decreased in size with increasing oxidation time of more than 7.2 ks at 1473 K, and then disappeared after oxidation for 7.2 ks at 1573 K. It is suggested that a new oxide develops at the oxygen/scale interface. The scale surface of FeCrAl alloy showed a wavy morphology after oxidation for 7.2 ks at 1273 K which then changed to planar morphology after an oxidation time of more than 7.2 ks at 1573 K. On the other hand, the scale surfaces of other alloys were planar after all oxidation conditions in this study. The scale surfaces of FeCrAl, FZ FeCrAl, FeCrAlPd and FeCrAlPt alloys were rough, however, those of FeCrAl-(0.1, 0.2, 0.5)Y alloys were smooth. The oxide scales formed on FeCrAl-(0.1, 0.2, 0.5)Y alloys were found to be α-Al 2 O 3 with small amounts of Y 3 Al 5 O 12 , and those of the other alloys were only α-Al 2 O 3

Anodic oxidation of Ta/Fe alloys

International Nuclear Information System (INIS)

Mato, S.; Alcala, G.; Thompson, G.E.; Skeldon, P.; Shimizu, K.; Habazaki, H.; Quance, T.; Graham, M.J.; Masheder, D.

2003-01-01

The behaviour of iron during anodizing of sputter-deposited Ta/Fe alloys in ammonium pentaborate electrolyte has been examined by transmission electron microscopy, Rutherford backscattering spectroscopy, glow discharge optical emission spectroscopy and X-ray photoelectron spectroscopy. Anodic films on Ta/1.5 at.% Fe, Ta/3 at.% Fe and Ta/7 at.% Fe alloys are amorphous and featureless and develop at high current efficiency with respective formation ratios of 1.67, 1.60 and 1.55 nm V -1 . Anodic oxidation of the alloys proceeds without significant enrichment of iron in the alloy in the vicinity of the alloy/film interface and without oxygen generation during film growth, unlike the behaviour of Al/Fe alloys containing similar concentrations of iron. The higher migration rate of iron species relative to that of tantalum ions leads to the formation of an outer iron-rich layer at the film surface

Effect of pre-oxidation on high temperature sulfidation behavior of FeCr and FeCrAl alloys

Directory of Open Access Journals (Sweden)

Pillis Marina Fuser

2004-01-01

Full Text Available High temperature corrosion of structural alloys in sulfur bearing environments is many orders of magnitude higher than in oxidizing environments. Efforts to increase sulfidation resistance of these alloys include addition of alloying elements. Aluminum additions to iron-chromium alloys bring about increase in sulfidation resistance. This paper reports the effect of pre-oxidation on the sulfidation behavior of Fe-20Cr and Fe-20Cr-5Al alloys in H2-2% H2S environment at 800 °C. The surfaces of sulfidized specimens were also examined. Pre-oxidation of the two alloys results in an incubation period during subsequent sulfidation. After this incubation period, the Fe-20Cr alloy showed sulfidation behavior similar to that when the alloy was not pre-oxidized. The incubation period during sulfidation of the Fe-20Cr-5Al alloy was significantly longer, over 45 h, compared to 2 h for the Al free alloy. Based on the microscopic and gravimetric data a mechanism for sulfidation of these alloys with pre-oxidation has been proposed.

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.

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.

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

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.

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.

Strengthening mechanisms of Fe nanoparticles for single crystal Cu–Fe alloy

International Nuclear Information System (INIS)

Shi, Guodong; Chen, Xiaohua; Jiang, Han; Wang, Zidong; Tang, Hao; Fan, Yongquan

2015-01-01

A single crystal Cu–Fe alloy with finely dispersed precipitate Fe nanoparticles was fabricated in this study. The interface relationship of iron nanoparticle and copper matrix was analyzed with a high-resolution transmission electron microscope (HRTEM), and the effect of Fe nanoparticles on mechanical properties of single crystal Cu–Fe alloy was discussed. Results show that, the finely dispersed Fe nanoparticles can be obtained under the directional solidification condition, with the size of 5–50 nm and the coherent interface between the iron nanoparticle and the copper matrix. Single crystal Cu–Fe alloy possesses improved tensile strength of 194.64 MPa, and total elongation of 44.72%, respectively, at room temperature, in contrast to pure Cu sample. Nanoparticles which have coherent interface with matrix can improve the dislocation motion state. Some dislocations can slip through the nanoparticle along the coherent interface and some dislocations can enter into the nanoparticles. Thus to improve the tensile strength of single crystal Cu–Fe alloy without sacrificing the ductility simultaneously. Based on the above analyses, strengthening mechanisms of Fe nanoparticles for single crystal Cu–Fe alloy was described

Mössbauer spectroscopic studies in U-Fe and U-Fe-Zr alloys

Energy Technology Data Exchange (ETDEWEB)

Panda, Alaka; Singh, L. Herojit; Rajagopalan, S.; Govindaraj, R., E-mail: govind@igcar.gov.in; Ramachandran, Renjith; Kalavathi, S.; Amarendra, G. [Materials Science Group, Indira Gandhi Centre for Atomic Research, Kalpakkam (India)

2016-05-23

{sup 57}Fe Mössbauer studies have been carried out in an alloy of U and Fe with atomic percentage in the ratio of 68%:32% in order to understand the local structure and valence of Fe atoms associated with different phases that may get formed. The effect of changes in the hyperfine parameters such as isomer shift and quadrupole splitting at Fe sites due to additional alloying of Zr has been studied in an alloy of U, Fe and Zr in the ratio of 44%:33%:23% respectively with respect to that of the U-Fe alloy chosen in the present study. Possible effect of solute clustering in these systems has been addressed in an analogous alloy of uranium and zirconium using positron lifetime spectroscopy.

Study the microstructure of three and four component phases in Al-Ni-Fe-La alloys

KAUST Repository

Kolobylina, Natalia

2016-12-21

Aluminium alloys play a key role in modern engineering since they are the most used non-ferrous material. They have been widely used in automotive, aerospace, and construction engineering due to their good corrosion resistance, superior mechanical properties along with good machinability, weldability, and relatively low cost. The progress in practical application has been determined by intensive research and development works on the Al alloys. A new class of Al–REM–TM aluminum alloys (REM indicates rare earth metal and TM is transition metal) was revealed in the end of the last century. These alloys differ from conventional ones by their extraordinary ability to form metal glasses and nanoscale composites in a wide range of compositions. Having low density, these alloys possess unique mechanical characteristics and corrosion resistance. Two as received alloys, namely Al85Ni9Fe2La4 and Al85Ni7Fe4La4 were obtained in the form of ingots from melts of corresponding compositions upon cooling in air were studied by scanning/transmission electron microscopy (STEM), energy dispersive X-ray (EDX) microanalysis and X-ray diffraction (XRD). The microstructural analyses were performed in a aberration corrected TITAN 80-300 TEM/STEM (FEI, USA) attached with EDX spectrometer with ultrathin window (EDAX, USA). The specimens for transmission electron microscopy (TEM) were prepared by an electrochemical or ion etching. It was found that the received alloys exhibits along with fcc Al and Al4La (Al11La3) particles, these alloys contain a ternary phase Al3Ni1 Fe isostructural to the Al3Ni phase and a quaternary phase Al8Fe2 NiLa isostructural to the Al8Fe2Eu phase and monoclinic phase Al9(Fe,Ni)2 isostructural to the Al9Co2. The study by HRSTEM together with a new atomic resolution energy dispersive X-ray microanalysis method demonstrated that Fe and Ni atoms substituted one another in the Al8Fe2–NiLa quaternary compound. Besides, several types of defects were determined: first

Development of weldable, corrosion-resistant iron-aluminide (FeAl) alloys

Energy Technology Data Exchange (ETDEWEB)

Maziasz, P.J.; Goodwin, G.M.; Wang, X.L.; Alexander, D.J. [Oak Ridge National Lab., TN (United States)

1997-04-01

A boron-microalloyed FeAl alloy (Fe-36Al-0.2Mo-0.05Zr-0.13C, at.%, with 100-400 appm B) with improved weldability and mechanical properties was developed in FY 1994. A new scale-up and industry technology development phase for this work began in FY 1995, pursuing two parallel paths. One path was developing monolithic FeAl component and application technology, and the other was developing coating/cladding technology for alloy steels, stainless steels and other Fe-Cr-Ni alloys. In FY 1995, it was found that cast FeAl alloys had good strength at 700-750{degrees}C, and some (2.5%) ductility in air at room-temperature. Hot-extruded FeAl with refined grain size was found to have ductility and to also have good impact-toughness at room-temperature. Further, it was discovered that powder-metallurgy (P/M) FeAl, consolidated by direct hot-extrusion at 950-1000{degrees}C to have an ultra fine-grained microstructure, had the highest ductility, strength and impact-toughness ever seen in such intermetallic alloys.

Zirconium hydrides and Fe redistribution in Zr-2.5%Nb alloy under ion irradiation

Energy Technology Data Exchange (ETDEWEB)

Idrees, Y.; Yao, Z. [Department of Mechanical and Materials Engineering, Queen' s University, Kingston, ON, Canada, K7L 3N6 (Canada); Cui, J.; Shek, G.K. [Kinetrics, Mississauga, ON (Canada); Daymond, M.R., E-mail: daymond@queensu.ca [Department of Mechanical and Materials Engineering, Queen' s University, Kingston, ON, Canada, K7L 3N6 (Canada)

2016-11-15

Zr-2.5%Nb alloy is used to fabricate the pressure tubes of the CANDU reactor. The pressure tube is the primary pressure boundary for coolant in the CANDU design and is susceptible to delayed hydride cracking, reduction in fracture toughness upon hydride precipitation and potentially hydride blister formation. The morphology and nature of hydrides in Zr-2.5%Nb with 100 wppm hydrogen has been investigated using transmission electron microscopy. The effect of hydrides on heavy ion irradiation induced decomposition of the β phase has been reported. STEM-EDX mapping was employed to investigate the distribution of alloying elements. The results show that hydrides are present in the form of stacks of different sizes, with length scales from nano- to micro-meters. Heavy ion irradiation experiments at 250 °C on as-received and hydrided Zr-2.5%Nb alloy, show interesting effects of hydrogen on the irradiation induced redistribution of Fe. It was found that Fe is widely redistributed from the β phase into the α phase in the as-received material, however, the loss of Fe from the β phase and subsequent precipitation is retarded in the hydrided material. This preliminary work will further the current understanding of microstructural evolution of Zr based alloys in the presence of hydrogen. - Graphical abstract: STEM HAADF micrographs at low magnification showing the hydride structure in Zr-2.5Nb alloy.

Eutectic Al-Si-Cu-Fe-Mn alloys with enhanced mechanical properties at room and elevated temperature

International Nuclear Information System (INIS)

Wang, E.R.; Hui, X.D.; Chen, G.L.

2011-01-01

Highlights: → Fabricated a kind of high performance Al-Si alloy with low production costs. → Clarified two different morphologies of α-Fe and corresponding crystal structures. → Analyzed the crystallography of Cu-rich phases before and after T6 treatment. → Fracture mechanism of precipitates in experimental alloys during tensile process. -- Abstract: In this paper, we report a novel kind of eutectic Al-Si-Cu-Fe-Mn alloy with ultimate tensile strength up to 336 MPa and 144.3 MPa at room temperature and 300 o C, respectively. This kind of alloy was prepared by metal mold casting followed by T6 treatment. The microstructure is composed of eutectic and primary Si, α-Fe, Al 2 Cu and α-Al phases. Iron-rich phases, which were identified as BCC type of α-Fe (Al 15 (Fe,Mn) 3 Si 2 ), exist in blocky and dendrite forms. Tiny blocky Al 2 Cu crystals disperse in α-Fe dendrites or at the grain boundaries of α-Al. During T6 treatment, Cu atoms aggregate from the super-saturation solid solution to form GP zones, θ'' or θ'. Further analysis found that the enhanced mechanical properties of the experimental alloy are mainly attributed to the formation of α-Fe and copper-rich phases.

Effect of a ZrO{sub 2} coating deposited by the sol–gel method on the resistance of FeCrAl alloy in high-temperature oxidation conditions

Energy Technology Data Exchange (ETDEWEB)

Chęcmanowski, Jacek Grzegorz, E-mail: jacek.checmanowski@pwr.wroc.pl [Wrocław University of Technology, Faculty of Chemistry, Wybrzeże Wyspiańskiego 27, 50-370 Wrocław (Poland); Szczygieł, Bogdan, E-mail: bogdan.szczygiel@pwr.wroc.pl [Wrocław University of Technology, Faculty of Chemistry, Wybrzeże Wyspiańskiego 27, 50-370 Wrocław (Poland)

2013-05-15

One-, three- and five-layer protective ZrO{sub 2} coatings were deposited on a FeCrAl alloy base by the sol–gel method. A zirconium(IV) isopropoxide isopropanol complex was used as the zirconium precursor. It has been shown that zirconium in the amount of 0.3–0.5 wt.% improves the resistance of FeCrAl alloy in high-temperature oxidation conditions (in air at T = 1060 °C for t = 2400 h). Even a very low Zr content affects the morphology, porosity and composition of the forming scale (SEM, EDS). An analysis of the chemical composition of the material after oxidation indicated to-core Zr diffusion. The presence of zirconium prevents catastrophic corrosion of the FeCrAl alloy during oxidation. In the case of the alloy without the reactive element (Zr) this type of corrosion occurred after about 1800 h. The oxidation of the FeCrAl alloy covered with ZrO{sub 2} coatings proceeds in three stages. In the first stage, lasting about 50 h, the mass of the sample grows rapidly, then for 700 h the mass changes minimally and in the third stage the oxidation proceeds according to a parabolic dependence. The presence of Zr on the surface of the FeCrAl alloy significantly contributes to the protective effect of the coatings. - Highlights: ► Multilayer ZrO{sub 2} coatings were deposited on FeCrAl alloy by sol–gel method. ► Study of alloy composition indicates to-core Zr diffusion in high temperature. ► Even very low content affects morphology and porosity of forming scale. ► Zirconium improves the resistance of FeCrAl alloy in high temperature conditions. ► Presence of ZrO{sub 2} prevents catastrophic corrosion of FeCrAl alloy during oxidation.

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

Magnetic properties near the ferromagnetic-paramagnetic transformation in the austenite phase of Ni43Mn44X2Sn11 (X = Fe and Co) Heusler alloys

Science.gov (United States)

Nan, W. Z.; Thanh, T. D.; You, T. S.; Piao, H. G.; Yu, S. C.

2018-03-01

In this work, we present a detail study on the magnetic properties in the austenitic phase (A phase) Ni43Mn44X2Sn11 alloy with X = Fe and Co, which were prepared by an arc-melting method in an argon atmosphere. The M(T) curves of two samples exhibits a single magnetic phase transition at the Curie temperature of the ferromagnetic (FM) austenitic phase with TCA = 298 K and 334k for (X = Fe and Co) respectively. Based on the Landau theory and M(H) data measured at different temperatures, we found that the FM-PM phase transitions around TCA in both samples were the second-order phase transition. Under an applied field change of 30 kOe, around TCA , the magnetic entropy changes were found to be 0.66 J Kg-1 K-1 and 1.62 J Kg-1 K-1 for (X = Fe and Co) respectively.

Effect of Nb on magnetic and mechanical properties of TbDyFe alloys

Science.gov (United States)

Wang, Naijuan; Liu, Yuan; Zhang, Huawei; Chen, Xiang; Li, Yanxiang

2018-03-01

The intrinsic brittleness in giant magnetostrictive material TbDyFe alloy has devastating influence on the machinability and properties of the alloy, thus affecting its applications. The purpose of this paper is to study the mechanical properties of the TbDyFe alloy by alloying with Nb element. The samples (Tb0.3Dy0.7)xFe2xNby (y = 0, 0.01, 0.04, 0.07, 0.1; 3x + y = 1) were melted in an arc melting furnace under high purity argon atmosphere. The microstructure, magnetostrictive properties and mechanical performance of the alloys were studied systematically. The results showed that NbFe2 phases were observed in the alloys with the addition of Nb. Moreover, both the NbFe2 phases and rare earth (RE)-rich phases were increased with the increasing of Nb element. The mechanical properties results revealed that the fracture toughness of the alloy with the addition of Nb enhanced 1.5-5 times of the Nb-free alloy. Both the NbFe2 phase and the RE-rich phase had the ability to prevent crack propagation, so that they can strengthen the REFe2 body. However, NbFe2 phase is a paramagnetic phase, which can reduce the magnetostrictive properties of the alloy by excessive precipitation.

Microstructural characterization of Y{sub 2}O{sub 3} ODS-Fe-Cr model alloys

Energy Technology Data Exchange (ETDEWEB)

Castro, V. de [Department of Materials, University of Oxford, Oxford OX1 3PH (United Kingdom)], E-mail: vanessa.decastro@materials.ox.ac.uk; Leguey, T.; Munoz, A.; Monge, M.A.; Pareja, R. [Departamento de Fisica, Universidad Carlos III de Madrid, 28911 Leganes (Spain); Marquis, E.A.; Lozano-Perez, S.; Jenkins, M.L. [Department of Materials, University of Oxford, Oxford OX1 3PH (United Kingdom)

2009-04-30

Two Fe-12 wt% Cr alloys, one containing 0.4 wt% Y{sub 2}O{sub 3} and the other Y{sub 2}O{sub 3}-free, have been produced by mechanical alloying followed by hot isostatic pressing. These oxide dispersion strengthened and reference alloys were characterized both in the as-HIPed state and after tempering by transmission electron microscopy and atom-probe tomography. The as-HIPed alloys exhibited the characteristic microstructure of lath martensite and contained a high density of dislocations. Small voids with sizes <10 nm were also observed. Both alloys also contained M{sub 3}C and M{sub 23}C{sub 6} carbides (M = Cr, Fe) probably as a result of C ingress during milling. After tempering at 1023 K for 4 h the microstructures had partially recovered. In the recovered regions, martensite laths were replaced by equiaxed grains in which M{sub 23}C{sub 6} carbides decorated the grain boundaries. In the ODS alloy nanoparticles containing Y were commonly observed within grains, although they were also present at grain boundaries and adjacent to large carbides.

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.

Influence of manganese, carbon and nitrogen on high-temperature strength of Fe-Cr-Mn austenitic alloys

International Nuclear Information System (INIS)

Hosoi, Y.; Okazaki, Y.; Wade, N.; Miyahara, K.

1990-01-01

High Mn-Cr-Fe base alloys are candidates for the first wall material of fusion reactors because of rapid decay of radioactivity of the alloys after neutron irradiation compared with that of Ni-Cr-Fe base alloys. Their high temperature properties, however, are not clearly understood at present. In this paper, a study has been made of the effects of Mn, C and N content on the high-temperature tensile strength and creep properties of a 12% CR-Fe base alloy. Mn tends to decrease tensile strength and proof stress at intermediate temperatures. At higher temperatures in the austenite range, however, tensile properties scarcely depend on Mn content. C and N additions improve the tensile properties markedly. The combined addition of 0.2%C and 0.2%N to a 12%Cr-15%Mn-Fe base alloy makes the strength at 873K as high as that of a modified type 316 stainless steel. Combined alloying with C and N also improves the creep strength. Cold working is very useful in increasing the creep strength because of the finely dispersed precipitates in the matrix during creep. From these results, Fe-12%Cr-15%Mn-15%Mn-0.2%c-0.2%N is recommended as one of the most suitable alloys in this system for high temperature usage. (author)

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

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.

Corrosion behaviour of Al-Fe-Ti-V medium entropy alloy

Science.gov (United States)

Bodunrin, M. O.; Obadele, B. A.; Chown, L. H.; Olubambi, P. A.

2017-12-01

Alloys containing up to four multi-principal elements in equiatomic ratios are referred to as medium entropy alloys (MEA). These alloys have attracted the interest of many researchers due to the superior mechanical properties it offers over the traditional alloys. The design approach of MEA often results to simple solid solution with either body centered cubic; face centered cubic structures or both. As the consideration for introducing the alloys into several engineering application increases, there have been efforts to study the corrosion behaviour of these alloys. Previous reports have shown that some of these alloys are more susceptible to corrosion when compared with traditional alloys due to lack of protective passive film. In this research, we have developed AlFeTiV medium entropy alloys containing two elements (Ti and Al) that readily passivate when exposed to corrosive solutions. The alloys were produced in vacuum arc furnace purged with high purity argon. Open circuit potential and potentiodynamic polarisation tests were used to evaluate the corrosion behaviour of the as-cast AlFeTiV alloy in 3.5 wt% NaCl and 1 M H2SO4. The corrosion performance of the alloy was compared with Ti-6Al-4V alloy tested under similar conditions. The results show that unlike in Ti-6Al-4V alloy, the open circuit potential of the AlFeTiV alloy move towards the negative values in both 3.5 wt% NaCl and 1 M H2SO4 solutions indicating that self-activation occurred rapidly on immersion. Anodic polarisation of the alloys showed that AlFeTiV alloy exhibited a narrow range of passivity in both solutions. In addition, the alloys exhibited lower Ecorr and higher Icorr when compared with traditional Ti-6Al-4V alloy. The traditional Ti-6Al-4V alloy showed superior corrosion resistant to the AlFeTiV alloy in both 3.5 wt.% NaCl and 1 M H2SO4 solutions.

Development of ODS FeCrAl alloys for accident-tolerant fuel cladding

Energy Technology Data Exchange (ETDEWEB)

Dryepondt, Sebastien N. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Hoelzer, David T. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Pint, Bruce A. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Unocic, Kinga A. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

2015-09-18

FeCrAl alloys are prime candidates for accident-tolerant fuel cladding due to their excellent oxidation resistance up to 1400 C and good mechanical properties at intermediate temperature. Former commercial oxide dispersion strengthened (ODS) FeCrAl alloys such as PM2000 exhibit significantly better tensile strength than wrought FeCrAl alloys, which would alloy for the fabrication of a very thin (~250 m) ODS FeCrAl cladding and limit the neutronic penalty from the replacement of Zr-based alloys by Fe-based alloys. Several Fe-12-Cr-5Al ODS alloys where therefore fabricated by ball milling FeCrAl powders with Y2O3 and additional oxides such as TiO₂ or ZrO₂. The new Fe-12Cr-5Al ODS alloys showed excellent tensile strength up to 800 C but limited ductility. Good oxidation resistance in steam at 1200 and 1400 C was observed except for one ODS FeCrAl alloy containing Ti. Rolling trials were conducted at 300, 600 C and 800 C to simulate the fabrication of thin tube cladding and a plate thickness of ~0.6mm was reached before the formation of multiple edge cracks. Hardness measurements at different stages of the rolling process, before and after annealing for 1h at 1000 C, showed that a thinner plate thickness could likely be achieved by using a multi-step approach combining warm rolling and high temperature annealing. Finally, new Fe-10-12Cr-5.5-6Al-Z gas atomized powders have been purchased to fabricate the second generation of low-Cr ODS FeCrAl alloys. The main goals are to assess the effect of O, C, N and Zr contents on the ODS FeCrAl microstructure and mechanical properties, and to optimize the fabrication process to improve the ductility of the 2nd gen ODS FeCrAl while maintaining good mechanical strength and oxidation resistance.

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.

Effect of Co addition on the magnetic properties and microstructure of FeNbBCu nanocrystalline alloys

Energy Technology Data Exchange (ETDEWEB)

Xue, Lin [School of Materials Science and Engineering, Southeast University, Nanjing 211189 (China); Ningbo Institute of Industrial Technology, Chinese Academy of Sciences, Ningbo 315201 (China); School of Sciences, China University of Mining and Technology, Xuzhou 221116 (China); Yang, Weiming [School of Sciences, China University of Mining and Technology, Xuzhou 221116 (China); Liu, Haishun, E-mail: liuhaishun@126.com [School of Sciences, China University of Mining and Technology, Xuzhou 221116 (China); Men, He [Ningbo Institute of Industrial Technology, Chinese Academy of Sciences, Ningbo 315201 (China); Wang, Anding, E-mail: anding@nimte.ac.cn [Ningbo Institute of Industrial Technology, Chinese Academy of Sciences, Ningbo 315201 (China); Chang, Chuntao [Ningbo Institute of Industrial Technology, Chinese Academy of Sciences, Ningbo 315201 (China); Shen, Baolong, E-mail: blshen@seu.edu.cn [School of Materials Science and Engineering, Southeast University, Nanjing 211189 (China)

2016-12-01

Through gradient substitution of Co for Fe, the magnetic properties and microstructures of (Fe{sub 1−x}Co{sub x}){sub 83}Nb{sub 2}B{sub 14}Cu{sub 1} (x=0.1, 0.2, 0.3, 0.4, 0.5) nanocrystalline alloys were investigated. Because of the strong ferromagnetic exchange coupling between Co and Fe, substantial improvement in saturation magnetization was achieved with proper levels of Co addition. Meanwhile, the Curie temperature increased noticeably with increasing Co addition. After heat treatment, the (Fe{sub 0.9}Co{sub 0.1}){sub 83}Nb{sub 2}B{sub 14}Cu{sub 1} nanocrystalline alloy showed a refined microstructure with an average grain size of 10–20 nm, exhibiting a comparatively high saturation magnetization of 1.82 T and a lower coercivity of 12 A/m compared to other Hitperm-type alloys with higher Co contents. Additionally, the Curie temperature reached 1150 K upon introduction of Co. As the soft magnetic properties are strengthened by adding a small amount of Co, the combination of fine, soft magnetic properties and low cost make this nanocrystalline alloy a potential magnetic material. - Highlights: • New (Fe{sub 1−x}Co{sub x}){sub 83}Nb{sub 2}B{sub 14}Cu{sub 1} nanocrystalline alloys are successfully synthesized. • Minor Co addition improves the Curie temperature of (Fe{sub 1−x}Co{sub x}){sub 83}Nb{sub 2}B{sub 14}Cu{sub 1} alloy system. • (Fe{sub 1−x}Co{sub x}){sub 83}Nb{sub 2}B{sub 14}Cu{sub 1} nanocrystalline alloys exhibit high saturation magnetization above 1.82 T.

The design of an Fe-12Mn-O.2Ti alloy steel for low temperature use

Science.gov (United States)

Hwang, S. K.; Morris, J. W., Jr.

1977-01-01

An investigation was made to improve the low temperature mechanical properties of Fe-8 approximately 12% Mn-O 2Ti alloy steels. A two-phase(alpha + gamma) tempering in combination with cold working or hot working was identified as an effective treatment. A potential application as a Ni-free cryogenic steel was shown for this alloy. It was also shown that an Fe-8Mn steel could be grain-refined by a purely thermal treatment because of its dislocated martensitic structure and absence of epsilon phase. A significant reduction of the ductile-brittle transition temperature was obtained in this alloy. The nature and origin of brittle fracture in Fe-Mn alloys were also investigated. Two embrittling regions were found in a cooling curve of an Fe-12Mn-O 2Ti steel which was shown to be responsible for intergranular fracture. Auger electron spectroscopy identified no segregation during solution-annealing treatment. Avoiding the embrittling zones by controlled cooling led to a high cryogenic toughness in a solution-annealed condition.

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.

Short range order in FeCo-X alloys

International Nuclear Information System (INIS)

Fultz, B.

1988-01-01

Moessbauer spectrometry was used to study the kinetics of chemical ordering in FeCo and in FeCo alloyed with ternary solutes. With respect to the binary FeCo alloy, the kinetics of B2 ordering were slowed when 2% of 4d- or 5d-series ternary solute atoms were present, but 3p- and 3d-series ternary solutes had little effect on ordering kinetics. The relaxation of order around the ternary solute atoms could be discerned in Moessbauer spectra, and it seems that the development of B2 short range order is influenced by structural relaxations around the ternary solute atoms. Different thermal treatments were shown to cause different relaxations of and correlations, suggesting that Moessbauer spectrometry can be used to identify different kinetic paths of ordering in ternary alloys. (orig.)

Magnetostriction of the polycrystalline Fe80Al20 alloy doped with boron

International Nuclear Information System (INIS)

Bormio-Nunes, Cristina; Teodoro dos Santos, Claudio; Botani de Souza Dias, Mateus; Doerr, Mathias; Granovsky, Sergey; Loewenhaupt, Michael

2012-01-01

Highlights: ► Fe 80 Al 20 polycrystalline alloy magnetostriction 40 ppm increased to 80 ppm due to 2% of B doping. ► B stabilizes α-FeAl phase and a coexistence of α-FeAl + Fe 3 Al improves magnetostriction. ► Presence of Fe 2 B phase causes domain rearrangement revealed by the decrease of the volume magnetostriction. - Abstract: The doping of Fe 80 Al 20 polycrystalline alloy with 2% of boron increased the total magnetostriction twofold compared to a sample without boron. A value close to 80 ppm was achieved at 300 K. The microstructures of the boron-doped alloys show a dendritically solidified matrix with interdendritic α-FeAl and/or Fe 3 Al and Fe 2 B eutectic between the grains. The XRD analysis reveals an increase in the volume fraction of α-FeAl and a correspondent decrease of the Fe 3 Al phase volume fraction as the boron content increases. The increase of the volume fraction of this tetragonal Fe 2 B phase in the samples doped with boron causes the decrease of the strong volume magnetostriction that was observed in the alloy without boron. There is some evidence that the improvement of the magnetostriction magnitude due to the addition of boron to the Fe 80 Al 20 alloy could reach the maximal magnetostriction if the 1:1 optimal ratio of the volume fractions of the α-FeAl and Fe 3 Al phases could be reached.

The effect of Mn and B on the magnetic and structural properties of nanostructured Fe60Al40 alloys produced by mechanical alloying.

Science.gov (United States)

Rico, M M; Alcázar, G A Pérez; Zamora, L E; González, C; Greneche, J M

2008-06-01

The effect of Mn and B on the magnetic and structural properties of nanostructured samples of the Fe60Al40 system, prepared by mechanical alloying, was studied by 57Fe Mössbauer spectrometry, X-ray diffraction and magnetic measurements. In the case of the Fe(60-x)Mn(x)Al40 system, 24 h milling time is required to achieve the BCC ternary phase. Different magnetic structures are observed according to the temperature and the Mn content for alloys milled during 48 h: ferromagnetic, antiferromagnetic, spin-glass, reentrant spin-glass and superparamagnetic behavior. They result from the bond randomness behaviour induced by the atomic disorder introduced by the MA process and from the competitive interactions of the Fe-Fe ferromagnetic interactions and the Mn-Mn and Fe-Mn antiferromagnetic interactions and finally the presence of Al atoms acting as dilutors. When B is added in the Fe60Al40 alloy and milled for 12 and 24 hours, two crystalline phases were found: a prevailing FeAl BCC phase and a Fe2B phase type. In addition, one observes an additional contribution attributed to grain boundaries which increases when both milling time and boron composition increase. Finally Mn and B were added to samples of the Fe60Al40 system prepared by mechanical alloying during 12 and 24 hours. Mn content was fixed to 10 at.% and B content varied between 0 and 20 at.%, substituting Al. X-ray patterns show two crystalline phases, the ternary FeMnAl BCC phase, and a (Fe,Mn)2B phase type. The relative proportion of the last phase increases when the B content increases, in addition to changes of the grain size and the lattice parameter. Such behavior was observed for both milling periods. On the other hand, the magnetic hyperfine field distributions show that both phases exhibit chemical disorder, and that the contribution attributed to the grain boundaries is less important when the B content increases. Coercive field values of about 10(2) Oe slightly increase with boron content

Structure and Mechanical Properties of Al-Cu-Fe-X Alloys with Excellent Thermal Stability.

Science.gov (United States)

Školáková, Andrea; Novák, Pavel; Mejzlíková, Lucie; Průša, Filip; Salvetr, Pavel; Vojtěch, Dalibor

2017-11-05

In this work, the structure and mechanical properties of innovative Al-Cu-Fe based alloys were studied. We focused on preparation and characterization of rapidly solidified and hot extruded Al-Cu-Fe, Al-Cu-Fe-Ni and Al-Cu-Fe-Cr alloys. The content of transition metals affects mechanical properties and structure. For this reason, microstructure, phase composition, hardness and thermal stability have been investigated in this study. The results showed exceptional thermal stability of these alloys and very good values of mechanical properties. Alloying by chromium ensured the highest thermal stability, while nickel addition refined the structure of the consolidated alloy. High thermal stability of all tested alloys was described in context with the transformation of the quasicrystalline phases to other types of intermetallics.

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.

Evidence for the existence of two electronic states in the chalcopyrite-type alloys CuFe(S1-zSez)2

International Nuclear Information System (INIS)

Jaimes, E.; Gonzalez, J.; Woolley, J.C.; Lamarche, G.

1994-01-01

Results of Moessbauer spectroscopy for the chalcopyrite-type of alloys CuFe(S 1-z Se z ) 2 in the range of composition 0 ≤ z ≤ 0.45 are presented. Room temperature spectra show two contributions: one is a magnetic spectrum (six lines) with a value of the hyperfine field near to that of chalcopyrite (z = 0, in which an antiferromagnetic order occurs below T = 823 K), the other having only one line. The relative area of the single-line contribution increases as z increases. For z = 0.2, we also made Moessbauer measurements as a function of temperature. The ratio of the two contributions evolves according to a Boltzmann law, in which the single line corresponds to the excited state at 81 K above the antiferromagnetic ground state. (orig.)

Effects of Fe and Cr on corrosion behavior of ZrFeCr alloys in 500 oC steam

International Nuclear Information System (INIS)

Wang Jun; Fan Hongyuan; Xiong Ji; Liu Hong; Miao Zhi; Ying Shihao; Yang Gang

2011-01-01

Research highlights: Amount and size of SPP will effect the corrosion resistance of Zr alloy at 500 o C/10.3 MPa. - Abstract: A study of the corrosion behaviors of ZrFeCr alloy and the influence of microstructure on corrosion resistance are described by X-ray diffraction and scanning electron microscope in this paper. The results show that several ZrFeCr alloys exhibit protective behavior throughout the test and oxide growth is stable and protective. The best alloy has the composition Zr1.0Fe0.6Cr. Fitting of the weight gain curves for the protective oxide alloys in the region of protective behavior, it showed nearly cubic behavior for the most protective alloys. The Zr1.0Fe0.6Cr has the more laves Zr(Fe,Cr) 2 precipitate in matrix and it has the better corrosion resistance. The Zr0.2Fe0.1Cr has little precipitate, the biggest hydrogen absorption and the worst corrosion resistance. The number of precipitates and the amount of hydrogen absorption in Zr alloy plays an important role on corrosion resistance behaviors in 500 o C/10.3 MPa steam.

Quasicrystalline and crystalline phases in Al65Cu20(Fe, Cr)15 alloys

International Nuclear Information System (INIS)

Liu, W.; Koester, U.; Mueller, F.; Rosenberg, M.

1992-01-01

Two types of icosahedral quasicrystals are observed in Al 65 Cu 20 Fe 15-x Cr x (0 ≤ x ≤ 15) alloys, the face-centred AlCuFe-type icosahedral phase with dissoluted Cr and the primitive AlCuCr-type icosahedral phase with dissoluted Fe. In the vicinity of Al 65 Cu 20 Fe 8 Cr 7 a stable decagonal phase (a=0.45 nm and c=1.23 nm) forms competitively with the icosahedral quasicrystals. All these three quasicrystalline phases can be regarded as Hume-Rothery phases stabilized by the energy band factor. The density is measured to be 4.57, 4.44, and 4.11 g/cm 3 for the icosahedral Al 65 Cu 20 Fe 15 , the decagonal Al 65 Cu 20 Fe 8 Cr 7 , and the icosahedral Al 65 Cu 20 Cr 15 alloys, respectively. Depending on the composition in the range between Al 65 Cu 20 Fe 8 Cr 7 and Al 65 Cu 20 Cr 15 , several crystalline phases are observed during the transormation of the AlCuCr-type icosahedral phase: the 1/1-3/2-type orthorhombic (o) and the 1/0-3/2-type tetragonal (t) approximants of the decagonal phase, a hexagonal (h) phase, as well as a long-range vacancy ordered τ 3 -phase derived from a CsCl-type structure with a=0.2923 nm. The structures of all the crystalline phases are closely related to those of the icosahedral (i) and decagonal (d) quasicrystals, which leads to a definite orientation relationship as follows: i5 parallel d10 parallel o[100] parallel t[100] parallel h[001] parallel τ 3 [110]. (orig.)

Minor-Cu doped soft magnetic Fe-based FeCoBCSiCu amorphous alloys with high saturation magnetization

Science.gov (United States)

Li, Yanhui; Wang, Zhenmin; Zhang, Wei

2018-05-01

The effects of Cu alloying on the amorphous-forming ability (AFA) and magnetic properties of the P-free Fe81Co5B11C2Si1 amorphous alloy were investigated. Addition of ≤ 1.0 at.% Cu enhances the AFA of the base alloy without significant deterioration of the soft magnetic properties. The Fe80.5Co5B11C2Si1Cu0.5 alloy with the largest critical thickness for amorphous formation of ˜35 μm possesses a high saturation magnetization (Bs) of ˜1.78 T, low coercivity of ˜14.6 A/m, and good bending ductility upon annealing in a wide temperature range of 513-553 K with maintaining the amorphous state. The fabrication of the new high-Fe-content Fe-Co-B-C-Si-Cu amorphous alloys by minor doping of Cu gives a guideline to developing high Bs amorphous alloys with excellent AFA.

Studies on electrodeposition and characterization of the Ni–W–Fe alloys coatings

Energy Technology Data Exchange (ETDEWEB)

Oliveira, Aldrighi Luiz M.; Costa, Josiane D.; Sousa, Mikarla B. de; Alves, José Jailson N. [Department of Chemical Engineering, Federal University of Campina Grande, Av. Aprígio Veloso, 882, 58429-970 Campina Grande (Brazil); Campos, Ana Regina N.; Santana, Renato Alexandre C. [Department of Education, Federal University of Campina Grande, R. Olho da Água da Bica, S. N., 58175-000 Cuité-Pb (Brazil); Prasad, Shiva, E-mail: prasad@deq.ufcg.edu.br [Department of Education, Federal University of Campina Grande, R. Olho da Água da Bica, S. N., 58175-000 Cuité-Pb (Brazil)

2015-01-15

Highlights: • Ni–W–Fe alloy resistant to corrosion has been obtained by electrodeposition. • Optimal temperature and current density for Ni–W–Fe alloy electrodeposition has been found. • Experimental design has been used as optimization tool. • Amorphous Ni–W–Fe alloy has been obtained. - Abstract: Corrosion has been responsible for industrial maintenance cost as well as for industrial accidents. A key to prevent corrosion is to develop advanced materials with highly anti-corrosive properties. The electrodeposition has been one of the most important techniques for obtaining these materials. The objective of this work is to develop and optimize the parameters to obtain a new Ni–W–Fe alloy with high resistance to corrosion. A factorial design 2{sup 2} with 2 center points was used to find the optimal current density and bath temperature for Ni–W–Fe electrodeposition. The influence of such variables on the cathodic current efficiency and polarization resistance were obtained. The alloys obtained with the highest current density (125 mA/cm{sup 2}) and the highest bath temperature (70 °C) had the best anticorrosive properties, which are superior to anticorrosive properties of Ni–W–Fe available in the literature. The obtained alloys had the highest tungsten content compared with other alloys studied of about 46 wt.%. The highest cathodic current efficiency was 34% for the alloy with a chemical composition of 3 wt.% Fe, 29 wt.% W and 68 wt.% Ni.

Study of the oxidation of Fe-Cr alloys at high temperatures; Estudo da oxidacao de ligas Fe-Cr a altas temperaturas

Energy Technology Data Exchange (ETDEWEB)

Carneiro, J.F.; Sabioni, A.C.S. [Universidade Federal de Ouro Preto (LDM/DF/UFOP), MG (Brazil). Dept. de Fisica. Lab. de Difusao em Materiais; Trindade, V.B. [Universidade Federal de Ouro Preto (DEMM/UFOP), MG (Brazil). Dept. de Engenharia Metalurgica e de Materiais; Ji, V. [Laboratoire d' Etude des Materiaux Hors-Equilibre (LEMHE), Orsay (France)

2010-07-01

The high temperature oxidation behavior of Fe-1.5%Cr, Fe-5.0%Cr, Fe-10%Cr and Fe- 15%Cr model alloys were investigated from 700 to 850 deg C, in air atmosphere. The oxidation treatments were performed in a thermobalance with a sensitivity of 1{mu}g. The oxide films grown by oxidation of the alloys were characterized by scanning electronic microscopy (SEM), energy dispersive X-ray spectroscopy (EDS) and X-ray diffraction (XRD). The oxide films are Fe-Cr spinels with variable composition depending on the alloy composition. For all conditions studied, the oxidation kinetics of these alloys follow a parabolic law. The comparison of the oxidation rates of the four alloys, at 700 deg C, shows that the parabolic oxidation constants decrease from 1.96x10{sup -9}g{sup 2}.cm{sup -4}.s{sup -1}, for the alloy Fe-1.5% Cr, to 1.18 x 10-14g{sup 2}.cm{sup -4}.s{sup -1} for the alloy Fe-15% Cr. Comparative analysis of the oxidation behavior of the Fe-10%Cr and Fe-15%Cr alloys, between 700 and 850 deg C, shows that the oxidation rates of these alloys are comparable to 800 deg C, above this temperature the Fe-10%Cr alloy shows lower resistance to oxidation. (author)

Swelling of Fe-Mn and Fe-Cr-Mn alloys at high neutron fluence

International Nuclear Information System (INIS)

Garner, F.A.; Brager, H.R.

1986-06-01

Swelling data on neutron-irradiated simple Fe-Cr-Mn and Fe-Mn alloys, as well as commercial Fe-Cr-Mn base alloys are now becoming available at exposure levels approaching 50 dpa. The swelling rate decreases from the ∼1%/dpa found at lower exposures, probably due to the extensive formation of ferritic phases. As expected, commercial alloys swell less than the simple alloys

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).

Ferromagnetic alloy material CoFeC with high thermal tolerance in MgO/CoFeC/Pt structure and comparable intrinsic damping factor with CoFeB

Science.gov (United States)

Chen, Shaohai; Zhou, Jing; Lin, Weinan; Yu, Jihang; Guo, Rui; Poh, Francis; Shum, Danny; Chen, Jingsheng

2018-02-01

The thermal tolerance and perpendicular magnetic anisotropy (PMA) of ferromagnetic alloy Co40Fe40C20 in the structure MgO/CoFeC/Pt (or Ta) were investigated and compared with the commonly used CoFeB alloy. It is found that the PMA of CoFeC with {{K}i,CoFeC}=2.21 erg c{{m}-2} , which is 59% higher than that of CoFeB, can be obtained after proper post-annealing treatment. Furthermore, CoFeC alloy provides better thermal tolerance to temperature of 400 °C than CoFeB. The studies on ferromagnetic resonance show that the intrinsic damping constant α in of Co40Fe40C20 alloy is 0.0047, which is similar to the reported value of 0.004 for Co40Fe40B20 alloy. The comprehensive comparisons indicate that CoFeC alloy is a promising candidate for the application of the integration of spin torque transfer magnetic random access memory with complementary metal-oxide semiconductor processes.

Impact of the B2 ordering behavior on the mechanical properties of a FeCoMo alloy

Energy Technology Data Exchange (ETDEWEB)

Turk, C., E-mail: chris.turk@unileoben.ac.at [Montanuniversität Leoben, Department of Physical Metallurgy and Materials Testing, Franz-Josef Straße 18, 8700 Leoben (Austria); Leitner, H.; Kellezi, G. [Böhler Edelstahl GmbH & Co KG, Mariazellerstraße 25, 8605 Kapfenberg (Austria); Clemens, H. [Montanuniversität Leoben, Department of Physical Metallurgy and Materials Testing, Franz-Josef Straße 18, 8700 Leoben (Austria); Gan, W.M.; Staron, P. [German Engineering Materials Science Centre, Helmholtz-Zentrum Geesthacht, D-21502 Geesthacht (Germany); Primig, S. [Montanuniversität Leoben, Department of Physical Metallurgy and Materials Testing, Franz-Josef Straße 18, 8700 Leoben (Austria)

2016-04-26

A Fe - 25 at% Co - 9 at% Mo alloy can be hardened by nm-sized (Fe, Co){sub 7}Mo{sub 6} µ-phase precipitates which is accomplished by solution annealing in the austenite region followed by rapid quenching to room temperature and subsequent aging below the austenite transition temperature. In overaged condition the Mo-content in the remaining matrix drops towards zero and, therefore, the matrix consist of 71 at% Fe and 29 at% Co. The binary Fe-Co system shows a disorder-order, A2↔B2 transition at a critical ordering temperature between 25 at% and 72 at% Co. It is expected that the remaining matrix of an overaged Fe - 25 at% Co - 9 at% Mo alloy also exhibits such an ordering reaction. It will be demonstrated that the formation of a B2 ordered FeCo phase can be delayed or completely prevented by rapid quenching from temperatures above the critical ordering temperature. This has a strong impact on the mechanical properties of this alloy which have been studied by means of tensile, impact toughness and hardness testing. The evidence for a disorder-order transition in this alloy has been given by neutron diffraction as well as high resolution transmission electron microscopy.

Structure and Mechanical Properties of Al-Cu-Fe-X Alloys with Excellent Thermal Stability

Directory of Open Access Journals (Sweden)

Andrea Školáková

2017-11-01

Full Text Available In this work, the structure and mechanical properties of innovative Al-Cu-Fe based alloys were studied. We focused on preparation and characterization of rapidly solidified and hot extruded Al-Cu-Fe, Al-Cu-Fe-Ni and Al-Cu-Fe-Cr alloys. The content of transition metals affects mechanical properties and structure. For this reason, microstructure, phase composition, hardness and thermal stability have been investigated in this study. The results showed exceptional thermal stability of these alloys and very good values of mechanical properties. Alloying by chromium ensured the highest thermal stability, while nickel addition refined the structure of the consolidated alloy. High thermal stability of all tested alloys was described in context with the transformation of the quasicrystalline phases to other types of intermetallics.

Fe-Mn-Si based shape memory alloys

International Nuclear Information System (INIS)

Hsu, T.Y.

2000-01-01

Characteristics of martensitic transformation fcc(γ)→hcp(ε) in Fe-Mn-Si based alloys are briefly reviewed. By analyzing the influences of constituents and treatments on shape memory effect (SME) in Fe-Mn-Si, the main factors controlling SME are summarized as austenite strengthening, stacking fault energy (probability) and antiferromagnetic temperature. Contribution of thermomechanical training to SME is introduced. The Fe-Mn-Si-RE (rare earth elements) and Fe-Mn-Si-Cr-N alloys are recommended as two novel shape memory alloys with superior SME. (orig.)

Hydrogen storage performance of Ti-V-based BCC phase alloys with various Fe content

International Nuclear Information System (INIS)

Yu, X.B.; Feng, S.L.; Wu, Z.; Xia, B.J.; Xu, N.X.

2005-01-01

The effect of Fe content on hydrogen storage characteristics of Ti-10Cr-18Mn-(32-x)V-xFe (x = 0, 2, 3, 4, 5) alloys has been investigated at 353 K. The X-ray diffraction (XRD) patterns and scanning electron microscopy (SEM) images of the alloys present BCC and C14 two-phase structures for all of the Fe-containing alloys. With the increasing Fe content, the lattice parameters of the BCC phase decrease, which results in an increase of the hydrogen desorption plateau pressure of the alloys. Among the studied alloys, Ti-10Cr-18Mn-27V-5Fe alloy exhibits the smallest PCT plateau slope and a more suitable plateau pressure (0.1 MPa equ <1 MPa). The maximum and effective capacities of the alloy are 3.32 wt.% and 2.26 wt.%, respectively, which are higher than other reported Fe-containing BCC phase alloys. In addition, the V/Fe ratio in this alloy is close to that of (VFe) alloy, whose cost is much lower than that of pure V

Microstructure and mechanical properties of ultrafine-grained Fe-14Cr and ODS Fe-14Cr model alloys

International Nuclear Information System (INIS)

Auger, M.A.; Leguey, T.; Munoz, A.; Monge, M.A.; Castro, V. de; Fernandez, P.; Garces, G.; Pareja, R.

2011-01-01

Reduced activation ferritic Fe-14 wt%Cr and Fe-14 wt%Cr-0.3 wt%Y 2 O 3 alloys were produced by mechanical alloying and hot isostatic pressing followed by forging and heat treating. The alloy containing Y 2 O 3 developed a submicron-grained structure with homogeneous dispersion of oxide nanoparticles that enhanced the tensile properties in comparison to the Y 2 O 3 free alloy. Strengthening induced by the Y 2 O 3 dispersion appears to be effective up to 873 K, at least. A uniform distribution of Cr-rich precipitates, stable upon a heat treatment at 1123 K for 2 h, was also found in both alloys.

Effect of Fe and Zr additions on ω phase formation in β-type Ti-Mo alloys

International Nuclear Information System (INIS)

Min, X.H.; Emura, S.; Zhang, L.; Tsuzaki, K.

2008-01-01

The effect of 1% Fe and/or 5% Zr (mass%) additions on ω phase formation was investigated for the Ti-15Mo alloy by means of X-ray diffraction analysis and hardness testing. Upon water quenching following solution treatment in the β phase region, the athermal ω phase formation could not be observed in all the alloys, regardless of Fe and Zr additions. The lattice parameter of the β phase decreases with Fe addition, while it increases with Zr addition. Solid solution strengthening by Fe and Zr is not recognized for the β phase. The isothermal ω phase formed after aging at 723 K and 773 K for 3.6 ks, which results in a decrease in the lattice parameter of the β phase and an increase in the hardness. The isothermal ω phase formation is suppressed with Fe and/or Zr additions. This is interpreted as the consequence of the increase in the average value of the bond order (Bo) for the Ti-15Mo-5Zr and Ti-15Mo-5Zr-1Fe alloys, and of the decrease in the average value of the metal d-orbital energy level (Md) for the Ti-15Mo-1Fe alloy. In addition, the degree of the suppression of isothermal ω phase can be predicted by the average values of Bo and Md

Hydrogen permeation in FeCrAl alloys for LWR cladding application

Science.gov (United States)

Hu, Xunxiang; Terrani, Kurt A.; Wirth, Brian D.; Snead, Lance L.

2015-06-01

FeCrAl, an advanced oxidation-resistant iron-based alloy class, is a highly prevalent candidate as an accident-tolerant fuel cladding material. Compared with traditional zirconium alloy fuel cladding, increased tritium permeation through FeCrAl fuel cladding to the primary coolant is expected, raising potential safety concerns. In this study, the hydrogen permeability of several FeCrAl alloys was obtained using a static permeation test station, which was calibrated and validated using 304 stainless steel. The high hydrogen permeability of FeCrAl alloys leads to concerns with respect to potentially significant tritium release when used for fuel cladding in LWRs. The total tritium inventory inside the primary coolant of a light water reactor was quantified by applying a 1-dimensional steady state tritium diffusion model to demonstrate the dependence of tritium inventory on fuel cladding type. Furthermore, potential mitigation strategies for tritium release from FeCrAl fuel cladding were discussed and indicate the potential for application of an alumina layer on the inner clad surface to serve as a tritium barrier. More effort is required to develop a robust, economical mitigation strategy for tritium permeation in reactors using FeCrAl clad fuel assemblies.

The changes in the electronic structure of B2 FeAl alloy with a Fe antisite and absorbed hydrogen

International Nuclear Information System (INIS)

Gonzalez, E.A.; Jasen, P.V.; Luna, R.; Bechthold, P.; Juan, A.; Brizuela, G.

2009-01-01

The electronic structure and bonding in a B2 FeAl alloy with and without hydrogen interaction with a Fe antisite were computed using a density functional theoretical method. The hydrogen absorption turns out to be a favorable process. The hydrogen was found close to an octahedral site where one of its Al capped is replaced by a Fe antisite. The Fe-H distance is of 1.45 A same as the Al-H distance. The density of states (DOS) curves show several peaks below the d metal band which is made up mostly of hydrogen based states (>50% H 1s ) while the metal contribution in this region includes mainly s and p orbitals. An electron transfer of nearby 0.21e - comes from the metal to the H. The overlap population values reveal metal-metal bond breaking, the intermetallic bond being the most affected. The H bond mainly with the Al atom and the reported Fe-H overlap population is much lower than that corresponding to FePd alloys and BCC Fe. The changes in the overlap population show the Fe-Al bond is weakened nearly 41.5% after H absorption, while the Fe-Fe bond is only weakened 34.5%. H also develops a stronger bond with the Al atoms. The main bond is developed with Al being twice stronger than Fe-H.

Structural Investigation of Rapidly Quenched FeCoPtB Alloys

International Nuclear Information System (INIS)

Grabias, A.; Kopcewicz, M.; Latuch, J.; Oleszak, D.

2011-01-01

Two sets of Fe 52-x Co x Pt 28 B 20 (x = 0-26 at.%) and Fe 60-x Co x Pt 25 B 15 (x = 0-40 at.%) alloys were prepared in the form of ribbons by the rapid quenching technique. Structure of the samples was characterized by Moessbauer spectroscopy and X-ray diffraction. In the as-quenched alloys the amorphous phase coexisted with the fcc-(Fe,Co)Pt disordered solid solution. Differential scanning calorimetry measurements performed in the range 50-720 ± C revealed one or two exothermal peaks. The magnetically hard ordered L1 0 (Fe,Co)Pt and magnetically soft (Fe,Co) 2 B nanocrystalline phases were formed due to thermal treatment of the alloys. The influence of Co content on the structure of the as-quenched and heated alloys was studied. (authors)

Gd{sub 90}Co{sub 2.5}Fe{sub 7.5} alloy displaying enhanced magnetocaloric properties

Energy Technology Data Exchange (ETDEWEB)

Provenzano, V., E-mail: virgil12@nist.gov [Materials Science and Engineering Division, NIST, Gaithersburg, MD 20899-8552 (United States); Shull, R.D., E-mail: robert.shull@nist.gov [Materials Science and Engineering Division, NIST, Gaithersburg, MD 20899-8552 (United States); Kletetschka, G., E-mail: kletetschka@gmail.com [Faculty of Science, Charles University, Prague 12843 (Czech Republic); Institute of Geology, Academy of Science of the Czech Republic, v.v.i., Prague 16500 (Czech Republic); Stutzman, P.E., E-mail: paul.stutzman@nist.gov [Materials and Structural Systems Division, NIST, Gaithersburg, MD 20899-861 (United States)

2015-02-15

Highlights: • The Gd{sub 90}Co{sub 2.5}Fe{sub 7.5} alloy displays superior magnetocaloric properties than Gd. • Alloy’s superior properties at relatively low field values: 400, 800 kA/m (0.5, 1 T). • We proposed two possible mechanisms for the Gd-based alloy enhanced properties. • We indicated a pathway for further improving the alloy magnetocaloric properties. - Abstract: We report on the discovery of a new Gd{sub 90}Co{sub 2.5}Fe{sub 7.5} alloy exhibiting superior magnetocaloric properties compared to those of gadolinium. We present magnetically-derived entropy change, ΔS{sub M}, computed from magnetic data, and thermally-derived temperature change, ΔT{sub ad}, obtained from direct thermal measurements together with their respective MCE peaks for the alloy and gadolinium. The MCE peaks of the alloy are taller and broader than the corresponding MCE peaks of gadolinium. Correspondingly, the refrigeration capacity (RC) values of the alloy computed from magnetic and thermal MCEs for field changes, ΔH, of 400 kA/m (0.5 T) and 800 kA/m (1 T) are about 20% larger than those of gadolinium. Two possible mechanisms are proposed to account for the improved magnetocaloric properties of gadolinium alloyed with small amounts of Co and Fe, thereby pointing out a different methodology to use in the search for improved low field magnetic refrigerants.

Effect of different factors on phase transformations in Fe-Mn alloys

International Nuclear Information System (INIS)

Balychev, Yu.M.; Tkachenko, F.K.

1983-01-01

Phase transformations proceeding under Fe-Mn alloy heating are studied and the effect of previous working conditions, particularly, cooling rate on these transformations is investigated. Investigations have been conducted on pure Fe-Mn alloys with 2-15% Mn. Phase transformations are shown to proceed according to α → #betta# and epsilon → #betta# reaction in Fe-Mn alloys containing 2-15% Mn under heating. Cooling rate in the range of approximately 5-1000 deg/min in preliminary working essentially affects phase transformations under subsequent heating

Characterization and properties of sintered WC–Co and WC–Ni–Fe hard metal alloys

International Nuclear Information System (INIS)

Chang, Shih-Hsien; Chen, Song-Ling

2014-01-01

Highlights: • WC–Ni–Fe alloy sintered at 1400 °C had the highest hardness (HRA 85.3 ± 0.5). • The optimal WC–Ni–Fe sintered alloy possessed the highest TRS value (2524.5 ± 1.0 MPa). • The fracture toughness of the sintered WC–Ni–Fe alloys is mainly provided by the Ni–Fe binders. • WC–Ni–Fe sintered alloy possessed the highest fracture toughness of K IC (15.1 MPa m 1/2 ). • The WC–Ni–Fe sintered alloy had the much better corrosion resistance in 0.15 M HCl solution. -- Abstract: The aim of this study is to explore two different tungsten carbide binders (Co and Ni–Fe) and then impose various sintering temperature treatments. Experimental results show that the optimal sintering temperatures for WC–Co and WC–Ni–Fe hard metal alloys are 1350 °C and 1400 °C for 1 h, respectively. Meanwhile, the WC–Co and WC–Ni–Fe alloys undergo a well liquid-phase sintering and, thus, exhibit excellent mechanical properties. In addition, the sintered WC–Co and WC–Ni–Fe alloys show that when the relative density reached 99.76% and 99.68%, the hardness was enhanced to HRA 84.4 ± 0.5 and 85.3 ± 0.5, and the TRS increased to 2471.2 ± 1.0 and 2524.5 ± 1.0 MPa, respectively. Moreover, the corrosion test results show that the WC–Ni–Fe alloy sintered at 1400 °C had the lowest corrosion current (I corr ) of 1.11 × 10 −5 A cm −2 and the highest polarization resistance (R p ) of 2464.61 Ω cm 2 in 0.15 M HCl solution. Simultaneously, the fracture toughness of K IC increased to 15.1 MPa m 1/2 . Compared with sintered WC–Co alloys, the sintered WC–Ni–Fe hard metal alloys possessed much better corrosion resistance and mechanical properties

Structure and mechanical properties of as-cast Ti-5Nb-xFe alloys

International Nuclear Information System (INIS)

Hsu, Hsueh-Chuan; Hsu, Shih-Kuang; Wu, Shih-Ching; Lee, Chih-Jhan; Ho, Wen-Fu

2010-01-01

In this study, as-cast Ti-5Nb and a series of Ti-5Nb-xFe alloys were investigated and compared with commercially pure titanium (c.p. Ti) in order to determine their structure and mechanical properties. The series of Ti-5Nb-xFe alloys contained an iron content ranging from 1 to 5 mass% and were prepared by using a commercial arc-melting vacuum-pressure casting system. Additionally, X-ray diffraction (XRD) for phase analysis was conducted with a diffractometer, and three-point bending tests were performed to evaluate the mechanical properties of all specimens. The fractured surfaces were observed by using scanning electron microscopy (SEM). The experimental results indicated that these alloys possessed a range of different structures and mechanical properties dependent upon the various additions of Fe. With an addition of 1 mass% Fe, retention of the metastable β phase began. However, when 4 mass% Fe or greater was added, the β phase was entirely retained with a bcc crystal structure. Moreover, the ω phase was only detected in the Ti-5Nb-2Fe, Ti-5Nb-3Fe and Ti-5Nb-4Fe alloys. The largest quantity of ω phase and the highest bending modulus were found in the Ti-5Nb-3Fe alloy. The Ti-5Nb-2Fe alloy had the lowest bending modulus, which was lower than that of c.p. Ti by 20%. This alloy exhibited the highest bending strength/modulus ratio of 26.7, which was higher than that of c.p. Ti by 214%, and of the Ti-5Nb alloy (14.4 ) by 85%. Additionally, the elastically recoverable angles of the ductile Ti-5Nb-1Fe (19.9 o ) and Ti-5Nb-5Fe (29.5 o ) alloys were greater than that of c.p. Ti (2.7 o ) by as much as 637% and 993%, respectively. Furthermore, the preliminary cell culturing results revealed that the Ti-5Nb-xFe alloys were not only biocompatible, but also supported cell attachment.

Structure and mechanical properties of as-cast Ti-5Nb-xFe alloys

Energy Technology Data Exchange (ETDEWEB)

Hsu, Hsueh-Chuan; Hsu, Shih-Kuang; Wu, Shih-Ching [Department of Dental Laboratory Technology, Central Taiwan University of Science and Technology, Taichung 40605, Taiwan (China); Institute of Biomedical Engineering and Material Science, Central Taiwan University of Science and Technology, Changhua 51591, Taiwan (China); Lee, Chih-Jhan [Department of Materials Science and Engineering, Da-Yeh University, Changhua 51591, Taiwan (China); Ho, Wen-Fu, E-mail: fujii@mail.dyu.edu.tw [Department of Materials Science and Engineering, Da-Yeh University, Changhua 51591, Taiwan (China)

2010-09-15

In this study, as-cast Ti-5Nb and a series of Ti-5Nb-xFe alloys were investigated and compared with commercially pure titanium (c.p. Ti) in order to determine their structure and mechanical properties. The series of Ti-5Nb-xFe alloys contained an iron content ranging from 1 to 5 mass% and were prepared by using a commercial arc-melting vacuum-pressure casting system. Additionally, X-ray diffraction (XRD) for phase analysis was conducted with a diffractometer, and three-point bending tests were performed to evaluate the mechanical properties of all specimens. The fractured surfaces were observed by using scanning electron microscopy (SEM). The experimental results indicated that these alloys possessed a range of different structures and mechanical properties dependent upon the various additions of Fe. With an addition of 1 mass% Fe, retention of the metastable {beta} phase began. However, when 4 mass% Fe or greater was added, the {beta} phase was entirely retained with a bcc crystal structure. Moreover, the {omega} phase was only detected in the Ti-5Nb-2Fe, Ti-5Nb-3Fe and Ti-5Nb-4Fe alloys. The largest quantity of {omega} phase and the highest bending modulus were found in the Ti-5Nb-3Fe alloy. The Ti-5Nb-2Fe alloy had the lowest bending modulus, which was lower than that of c.p. Ti by 20%. This alloy exhibited the highest bending strength/modulus ratio of 26.7, which was higher than that of c.p. Ti by 214%, and of the Ti-5Nb alloy (14.4 ) by 85%. Additionally, the elastically recoverable angles of the ductile Ti-5Nb-1Fe (19.9{sup o}) and Ti-5Nb-5Fe (29.5{sup o}) alloys were greater than that of c.p. Ti (2.7{sup o}) by as much as 637% and 993%, respectively. Furthermore, the preliminary cell culturing results revealed that the Ti-5Nb-xFe alloys were not only biocompatible, but also supported cell attachment.

Microstructure and mechanical properties of ultrafine-grained Fe-14Cr and ODS Fe-14Cr model alloys

Energy Technology Data Exchange (ETDEWEB)

Auger, M.A., E-mail: mauger@fis.uc3m.es [Departamento de Fisica-IAAB, Universidad Carlos III de Madrid, 28911-Leganes (Spain); Leguey, T., E-mail: leguey@fis.uc3m.es [Departamento de Fisica-IAAB, Universidad Carlos III de Madrid, 28911-Leganes (Spain); Munoz, A., E-mail: amunoz@fis.uc3m.es [Departamento de Fisica-IAAB, Universidad Carlos III de Madrid, 28911-Leganes (Spain); Monge, M.A., E-mail: mmonge@fis.uc3m.es [Departamento de Fisica-IAAB, Universidad Carlos III de Madrid, 28911-Leganes (Spain); Castro, V. de, E-mail: vanessa.decastro@materials.ox.ac.uk [Department of Materials, University of Oxford, OX1 3PH (United Kingdom); Fernandez, P., E-mail: pilar.fernandez@ciemat.es [National Fusion Laboratory-CIEMAT, Avda. Complutense 22, 28040 Madrid (Spain); Garces, G., E-mail: ggarces@cenim.csic.es [Departamento de Metalurgia Fisica, CENIM (CSIC), Avda. Gregorio del Amo 8, 28040 Madrid (Spain); Pareja, R., E-mail: rpp@fis.uc3m.es [Departamento de Fisica-IAAB, Universidad Carlos III de Madrid, 28911-Leganes (Spain)

2011-10-01

Reduced activation ferritic Fe-14 wt%Cr and Fe-14 wt%Cr-0.3 wt%Y{sub 2}O{sub 3} alloys were produced by mechanical alloying and hot isostatic pressing followed by forging and heat treating. The alloy containing Y{sub 2}O{sub 3} developed a submicron-grained structure with homogeneous dispersion of oxide nanoparticles that enhanced the tensile properties in comparison to the Y{sub 2}O{sub 3} free alloy. Strengthening induced by the Y{sub 2}O{sub 3} dispersion appears to be effective up to 873 K, at least. A uniform distribution of Cr-rich precipitates, stable upon a heat treatment at 1123 K for 2 h, was also found in both alloys.

Effect of Ti content on structure and properties of Al2CrFeNiCoCuTix high-entropy alloy coatings

International Nuclear Information System (INIS)

Qiu, X.W.; Zhang, Y.P.; Liu, C.G.

2014-01-01

Highlights: • Al 2 CrFeNiCoCuTi x high-entropy alloy coatings were prepared by laser cladding. • Al 2 CrFeNiCoCuTi x coatings show excellent corrosion resistance and wear resistance. • Al 2 CrFeNiCoCuTi x coatings play a good protective effect on Q235 steel. • Ti element promotes the formation of a BCC structure in a certain extent. -- Abstract: The Al 2 CrFeNiCoCuTi x high-entropy alloy coatings were prepared by laser cladding. The structure, hardness, corrosion resistance, wear resistance and magnetic property were studied by metallurgical microscope, scanning electron microscopy with spectroscopy (SEM/EDS), X-ray diffraction, micro/Vickers hardness tester, electrochemical workstation tribometer and multi-physical tester. The result shows that, Al 2 CrFeNiCoCuTi x high-entropy alloy samples consist of the cladding zone, bounding zone, heat affected zone and substrate zone. The bonding between the cladding layer and the substrate of a good combination; the cladding zone is composed mainly of equiaxed grains and columnar crystal; the phase structure of Al 2 CrFeNiCoCuTi x high-entropy alloy coatings simple for FCC, BCC and Laves phase due to high-entropy affect. Ti element promotes the formation of a BCC structure in a certain extent. Compared with Q235 steel, the free-corrosion current density of Al 2 CrFeNiCoCuTi x high-entropy alloy coatings is reduced by 1–2 orders of magnitude, the free-corrosion potential is more “positive”. With the increasing of Ti content, the corrosion resistance of Al 2 CrFeCoCuNiTi x high-entropy alloy coatings enhanced in 0.5 mol/L HNO 3 solution. Compared with Q235 steel, the relative wear resistance of Al 2 CrFeCoCuNiTi x high-entropy alloy coatings has improved greatly; both the hardness and plasticity are affecting wear resistance. Magnetization loop shows that, Ti 0.0 high-entropy alloy is a kind of soft magnetic materials

The influence of Fe2+ concentration and deposition time on the corrosion resistance of the electrodeposited zinc–nickel–iron alloys

Directory of Open Access Journals (Sweden)

M.M. Abou-Krisha

2016-11-01

Full Text Available Electrodeposition operating conditions for Zn–Ni–Fe alloys from sulfate baths and the corrosion resistance of the electrodeposited alloys were studied. The comparison between Zn–Ni and Zn–Ni–Fe alloys co-deposition revealed that the remarkable inhibition of Ni and Fe deposition takes place due to the presence of Zn2+ in the plating bath. The electrodeposition was performed on the steel substrate, under galvanostatic conditions, for varying Fe2+ bath concentrations and at different times. X-ray diffraction studies of the deposit showed the presence of Fe3Ni2 phase and γ-phase with a composition of Ni2Zn11. The obtained data also exposed that the corrosion resistance increases as a result of increasing Fe2+ concentration and deposition time. Investigation was carried out using cyclic voltammetry and galvastatic techniques for electrodeposition, while linear polarization resistance and anodic linear sweeping voltammetry techniques were used for corrosion study.

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.

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

Fundamental investigation of point defect interactions in FE-CR alloys

International Nuclear Information System (INIS)

Wirth, B.D.; Lee, H.J.; Wong, K.

2008-01-01

Full text of publication follows. Fe-Cr alloys are a leading candidate material for structural applications in Generation TV and fusion reactors, and there is a relatively large database on their irradiation performance. However, complete understanding of the response of Fe-Cr alloys to intermediate-to-high temperature irradiation, including the radiation induced segregation of Cr, requires knowledge of point defect and point defect cluster interactions with Cr solute atoms and impurities. We present results from a hierarchical multi-scale modelling approach of defect cluster behaviour in Fe-Cr alloys. The modelling includes ab initio electronic structure calculations performed using the VASP code with projector-augmented electron wave functions using PBE pseudo-potentials and a collinear treatment of magnetic spins, molecular dynamics using semi-empirical Finnic-Sinclair type potentials, and kinetic Monte Carlo simulations of coupled defect and Cr transport responsible for microstructural evolution. The modelling results are compared to experimental observations in both binary Fe-Cr and more complex ferritic-martensitic alloys, and provide a basis for understanding a dislocation loop evolution and the observations of Cr enrichment and depletion at grain boundaries in various irradiation experiments. (authors)

Formation of metastable phases and nanocomposite structures in rapidly solidified Al-Fe alloys

International Nuclear Information System (INIS)

Nayak, S.S.; Chang, H.J.; Kim, D.H.; Pabi, S.K.; Murty, B.S.

2011-01-01

Highlights: → Structures of nanocomposites in rapidly solidified Al-Fe alloys were investigated. → Nanoquasicrystalline, amorphous and intermetallics phases coexist with α-Al. → Nanoquasicrystalline phase was observed for the first time in the dilute Al alloys. → Thermodynamic driving force plays dominant role in precipitation of Fe-rich phases. → High hardness (3.57 GPa) was observed for nanocomposite of Al-10Fe alloy. - Abstract: In the present work the structure and morphology of the phases of nanocomposites formed in rapidly solidified Al-Fe alloys were investigated in details using analytical transmission electron microscopy and X-ray diffraction. Nanoquasicrystalline phases, amorphous phase and intermetallics like Al 5 Fe 2 , Al 13 F 4 coexisted with α-Al in nanocomposites of the melt spun alloys. It was seen that the Fe supersaturation in α-Al diminished with the increase in Fe content and wheel speed indicating the dominant role of the thermodynamic driving force in the precipitation of Fe-rich phases. Nanoquasicrystalline phases were observed for the first time in the dilute Al alloys like Al-2.5Fe and Al-5Fe as confirmed by high resolution TEM. High hardness (3.57 GPa) was measured in nanocomposite of Al-10Fe alloy, which was attributed to synergistic effect of solid solution strengthening due to high solute content (9.17 at.% Fe), dispersion strengthening by high volume fraction of nanoquasicrystalline phase; and Hall-Petch strengthening from finer cell size (20-30 nm) of α-Al matrix.

Self-diffusion in Zr-Cr and Zr-Fe alloys

International Nuclear Information System (INIS)

Patil, R.V.; Tiwari, G.P.; Sharma, B.D.

1981-01-01

Self-diffusion studies in a series of zirconium-rich alloys containing 2.05, 3.49, 4.08 and 7.86 at %Cr and 0.98, 1.35, 1.64, 3.54 and 6.37 at.%Fe have been carried out in the temperature range 1173-1518 K, using standard serial-sectioning technique. The temperature dependence of self-diffusion coefficients in all these alloys could be described by Arrhenius expressions of the type D = D 0 exp (- Q/RT). The data have been analysed on the basis of current concepts of alloy diffusion. An analysis based on the vacancy mechanism leads to negative values of the correlation factors. The possibility of interstitial-vacancy pair and ω-phase embryos being rate-controlling mechanisms is also discussed. (author)

Shape of growing crystals of primary phases in autectic alloys of Fe - Fe2B and Ni - Ni3B systems

International Nuclear Information System (INIS)

Tavadze, F.N.; Garibashvili, V.I.; Nakaidze, Sh.G.

1983-01-01

Shapes of Fe 2 B and Ni 3 B crystal growth in eutectic Fe-B and Ni-B system alloys are considered. Iron hemiboride primary crystals take the form of a plane-face phase boundary and inherit a tetragonal prismatic lattice. After the crystal attains the critical size the dendritic branching occurs resulting in formation of a typical sceleton dendrite. Comparison of data obtained with entropy of melting for Fe 2 B and Ni 3 B borides shows that FeB crystals during the growth should take the spherical form. It is stated that the shape of growing crystals in Fe-Fe 2 B and Ni-Ni 2 B eutectic colonies is determined by the shape of borides

Investigation of finely dispersed grind of magnetically hard SmCo5 and Nd2Fe14B alloys

International Nuclear Information System (INIS)

Balalaev, Yu.N.; Kosobudskij, I.D.

2000-01-01

Possibility of preparation of finely dispersed powders of SmCo 5 and Nd 2 Fe 14 B allays investigated and comparison of different types of grinding processes is conducted. Results of comparison of the processes in vibrational mills and disintegrators permit to conclude that density and structure of grindable materials effect on the rate and quality of grinding of magnetically hard alloys [ru

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.

Effect of alloying elements on σ phase formation in Fe-Cr-Mn alloys

International Nuclear Information System (INIS)

Okazaki, Yoshimitsu; Miyahara, Kazuya; Hosoi, Yuzo; Tanino, Mitsuru; Komatsu, Hazime.

1989-01-01

Alloys of Fe-(8∼12%) Cr-(5∼30%) Mn were solution-treated at 1373 K for 3.6 ks, followed by cold-working of 50% reduction. Both solution-treated and 50% cold-worked materials were aged in the temperature range from 773 to 973 K for 3.6 x 10 3 ks. The identification of σ phase formation was made by using X-ray diffraction from the electrolytically extracted residues of the aged specimens. The region of σ phase formation determined by the present work is wider than that on the phase diagram already reported. It is to be noted that Mn promotes markedly the σ phase formation, and that three different types of σ phase formation are observed depending on Mn content: α→γ + α→γ + α + σ in 10% Mn, α→γ + σ in 15 to 20% Mn alloys, α→χ(Chi) →χ + σ + γ in 25 to 30% Mn alloys. An average electron concentration (e/a) in the σ phase was estimated by quantitative analysis of alloying elements using EPMA. The e/a value in the σ phase formed in Fe-(12∼16%) Cr-Mn alloys aged at 873 K for 3.6 x 10 3 ks is about 7.3, which is independent of Mn content. In order to prevent σ phase formation in Fe-12% Cr-15% Mn alloy, the value of Ni * eq of 11 (Ni * eq = Ni + 30(C) + 25(N)) is required. (author)

Structural transformations in quenched Fe-Ga alloys

International Nuclear Information System (INIS)

Lograsso, T.A.; Ross, A.R.; Schlagel, D.L.; Clark, A.E.; Wun-Fogle, M.

2003-01-01

It has been speculated that the large increase in magnetostriction in Fe-Ga alloys results from local short-range ordering of the Ga atoms along specific crystallographic directions in the disordered Fe structure. The structural transitions associated with different cooling rates from the high temperature disordered state were investigated with X-ray diffraction of oriented single crystals of Fe-19 at% Ga. Results are presented for long-range ordering during slow cooling and indirect evidence of local short-range ordering of Ga atoms in the disordered state when the alloys are quenched is also presented. In the latter case, the short-range ordering of Ga atoms leads to a tetragonal distortion of the lattice. The dependence of the magnetostrictive response of Fe-Ga alloys on thermal history has been found to be directly related to these structural transformations in Fe-19 at% Ga alloys and experimental support for the proposed magnetostriction model based on Ga-Ga pairing along [100] crystallographic directions is presented

Effect of Nb aggregates on Zr2Fe

International Nuclear Information System (INIS)

Ramos, Cinthia P.

2001-01-01

The binary Zr-Fe phase diagram revision, performed by Arias et al., accepted the intermetallic Zr 2 Fe crystalline structure as tetragonal and determined that the presence of a third element like oxygen, nitrogen or carbon, stabilizes a cubic phase. Nevitt et al. studying Ti, Zr and Hf alloys with transition metals as second or third element and ternary systems with oxygen as third element, systematized the occurrence of phases with a cubic Ti 2 Ni type crystalline structure. From previous studies in the Zr-Nb-Fe system, it is an agreed fact that Nb presence in the Zr 2 Fe intermetallic stabilizes a cubic Ti 2 Ni type phase. The purpose of the present work is to determine the stability range of the Zr 2 Fe intermetallic with Nb contents, the existence range of the ternary cubic Ti 2 Ni type phase (designated Λ) and the corresponding two-phase region. We analyze as cast and heat treated (800 C degrees) Zr-Nb-Fe alloys with 35 atomic % Fe and Nb contents between 0.5 and 15 atomic %. The determination and characterization of the phases is made by optical and scanning electron microscopy, X-ray diffraction microprobe analysis and Moessbauer Spectroscopy. Joining these techniques together it is found, among many other things, that the Zr 2 Fe phase would accept up to around 0.5 atomic % Nb in solution and that the two-phase region Zr 2 Fe+Λ would be stable in the (0.5 - 3.5) Nb atomic % range. It is proposed as well a 800 C degrees section of the ternary (Zr-Nb-Fe) in the studied region. (author) [es

Study of Nd-Fe-B alloys with nonstoichiometric Nd content in optimal magnetic state

Directory of Open Access Journals (Sweden)

Ćosović V.

2009-01-01

Full Text Available Characterization of two rapid-quenched Nd-Fe-B alloys with nonstoichiometric Nd content in the optimized magnetic state was carried out using the X-ray diffractometry (XRD, 57Fe Mössbauer spectroscopic phase analysis (MS, electron microscopy (TEM, high resolution TEM (HREM and Superconducting Quantum Interference Device (SQUID magnetometer. The experimental results demonstrate the fundamental difference in the structure and magnetic properties of the two investigated alloys in the optimized magnetic state. The Nd-Fe-B alloy with the reduced Nd content (Nd4.5Fe77B18.5 was found to have the nanocomposite structure of Fe3B/Nd2Fe14B and partly α-Fe/Nd2Fe14B, with mean grain size below 30 nm. On the other side, the overstoichiometric Nd14Fe79B7 alloy has almost a monophase structure with the dominant content of the hard magnetic phase Nd2Fe14B (up to 95 wt. % and a mean crystallite size about 60 nm, as determined by XRD and TEM analysis. The results of magnetic measurements on SQUID magnetometer also suggest the nanocomposite structure of the Nd-low alloy and nanocrystalline decoupled structure of the Nd-rich alloy after the optimal heat treatment.