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

International Nuclear Information System (INIS)

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

2014-01-01

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

The ferromagnetic-spin glass transition in PdMn alloys: symmetry breaking of ferromagnetism and spin glass studied by a multicanonical method.

Science.gov (United States)

Kato, Tomohiko; Saita, Takahiro

2011-03-16

The magnetism of Pd(1-x)Mn(x) is investigated theoretically. A localized spin model for Mn spins that interact with short-range antiferromagnetic interactions and long-range ferromagnetic interactions via itinerant d electrons is set up, with no adjustable parameters. A multicanonical Monte Carlo simulation, combined with a procedure of symmetry breaking, is employed to discriminate between the ferromagnetic and spin glass orders. The transition temperature and the low-temperature phase are determined from the temperature variation of the specific heat and the probability distributions of the ferromagnetic order parameter and the spin glass order parameter at different concentrations. The calculation results reveal that only the ferromagnetic phase exists at x glass phase exists at x > 0.04, and that the two phases coexist at intermediate concentrations. This result agrees semi-quantitatively with experimental results.

Quantum Effects of Magnons Confined in Multilayered CoPd Ferromagnets

Science.gov (United States)

Nwokoye, Chidubem; Siddique, Abid; Bennett, Lawrence; Della Torre, Edward; IMR Team

Quantum entanglement is a unique quantum mechanical effect that arises from the correlation between two or more quantum systems. The fundamental aspects of magnon entanglement has been theoretical studied and the interest in developing technologies that exploits quantum entanglement is growing. We discuss the results of an experimental study of magnon entanglement in multilayered CoPd ferromagnets. Our findings are interesting and will aid in developing novel magnonic devices. Office of Naval Research.

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)

Effect of Pressure on the Ferromagnetic Cerium Compound CeCu9Sn4

International Nuclear Information System (INIS)

Ishii, Y.; Mori, N.; Hedo, M.; Uwatoko, Y.

2003-01-01

Electrical resistivity measurements under hydrostatic pressure up to 2.2 GPa was carried out for a ferromagnetic ternary cerium compound CeCu 9 Sn 4 . The ferromagnetic transition temperature increases with increasing pressure up to 0.8 GPa and then decreases with increasing pressure above 1 GPa. Origins of this pressure dependence may be the competition between magnetic interaction in the c-plane and along the c-direction. (author)

Effect of Mn addition on the structural and magnetic properties of Fe-Pd ferromagnetic shape memory alloys

International Nuclear Information System (INIS)

Sanchez-Alarcos, V.; Recarte, V.; Perez-Landazabal, J.I.; Gonzalez, M.A.; Rodriguez-Velamazan, J.A.

2009-01-01

The effect of Mn addition on the structural and magnetic properties of Fe-Pd ferromagnetic shape memory alloys is investigated. In particular, a complete characterization of the influence of the partial substitution of Fe by Mn has been performed on Fe 69.4-x Pd 30.6 Mn x (x = 0, 1, 2.5 and 5) alloys. The substitution of 1% Fe by Mn fully inhibits the undesirable irreversible face-centered tetragonal to body-centered tetragonal transformation without decreasing the face-centered cubic to face-centered tetragonal temperature. In addition, the substitution of 2.5% Fe by Mn gives rise to the highest thermoelastic transformation temperature observed to date in the Fe-Pd system, probably due to an increase in the valence electron concentration. The magnetocaloric effect has been evaluated in this alloy system for the first time. Nevertheless, the low values obtained suggest that the Fe-Pd alloys are not good candidates for magnetic refrigeration applications.

Investigation of the antiferromagnetic - ferromagnetic dimer chain compound BaCu{sub 2}V{sub 2}O{sub 8} at zero and finite temperatures

Energy Technology Data Exchange (ETDEWEB)

Klyushina, Ekaterina; Lake, Bella [Helmholtz-Zentrum Berlin fuer Materialien und Energie (Germany); Institut fuer Festkoerperphysik, Technische Universitaet Berlin (Germany); Tiegel, Alexander; Manmana, Salvatore [Georg-August-Universitaet Goettingen (Germany); Islam, Nazmul; Klemke, Bastian [Helmholtz-Zentrum Berlin fuer Materialien und Energie (Germany); Park, Jitae [Heinz Maier-Leibnitz Zentrum, TU Muenchen, Garching (Germany); Honecker, Andreas [Universite de Cergy-Pontoise (France)

2016-07-01

Highly dimerized quantum magnets have attracted a great deal of attention in the recently due to the unconventional temperature behavior of their magnetic excitations. Here we present our investigations of the highly dimerized antiferromagnet-ferromagnetic 1D chain BaCu{sub 2}V{sub 2}O{sub 8} both at base and at finite temperatures. The single crystal inelastic neutron scattering measurements at base temperature reveal that there are two excitation branches which disperse along the L direction over the energy range of 36-46 meV. The comparison with DMRG simulations indicates that the antiferromagnetic dimers are coupled ferromagnetically along the c axis. The line shape of the excitations at the dispersion minima was found to become asymmetry with increasing temperature. Thus unconventional thermal behavior also exists in dimer compounds with ferromagnetic interdimer coupling.

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

Energy Technology Data Exchange (ETDEWEB)

Yalcin, Battal Gazi

2016-06-15

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

Evaluation of phase transformation in ferromagnetic shape memory Fe-Pd alloy by magnetic Barkhausen noise

Science.gov (United States)

Furuya, Yasubumi; Tamoto, Shizuka; Kubota, Takeshi; Okazaki, Teiko; Hagood, Nesbitt W.; Spearing, S. Mark

2002-07-01

The possibility to detect the phase transformation with martensites by heating or cooling as well as stress-loading in ferromagnetic shape memory Fe-30at percent Pd alloy thin foil by using magnetic Markhausen noise sensor was studied. MBHN is caused by the irregular interactions between magnetic domain and thermally activated martensite twins during magnetization. In general, the envelope of the MBHN voltage versus time signals in Fe-29at percent Pd ribbon showed two peaks during magnetization, where secondary peak at intermediate state of magnetization process decreased with increasing temperature, while the MBHN envelopes in pure iron did not change with increasing temperature. The variety of MBHN due to the phase transformation was apt to arise at higher frequency part of spectrum during intermediate state of magnetization process and it decreased with disappearance of martensite twins. Besides, MBHN increased monotonically with increasing loading stress and then, it decreased with unloading, however MBHN showed large hysteresis between loading and unloading passes. Based on the experimental results from MBHN measurements for both thermoelastic and stress-induced martensite phase transformations in Fe-30at percent Pd ribbon samples, MBHN method seems a useful technique to non-destructive evaluation of martensite phase transformation of ferromagnetic shape memory alloy.

Magnetocaloric effects in RTX intermetallic compounds (R = Gd–Tm, T = Fe–Cu and Pd, X = Al and Si)

International Nuclear Information System (INIS)

Zhang Hu; Shen Bao-Gen

2015-01-01

The magnetocaloric effect (MCE) of RTSi and RT Al systems with R = Gd–Tm, T = Fe–Cu and Pd, which have been widely investigated in recent years, is reviewed. It is found that these RTX compounds exhibit various crystal structures and magnetic properties, which then result in different MCE. Large MCE has been observed not only in the typical ferromagnetic materials but also in the antiferromagnetic materials. The magnetic properties have been studied in detail to discuss the physical mechanism of large MCE in RTX compounds. Particularly, some RTX compounds such as ErFeSi, HoCuSi, HoCuAl exhibit large reversible MCE under low magnetic field change, which suggests that these compounds could be promising materials for magnetic refrigeration in a low temperature range. (topical review)

Structure and physical properties of RT{sub 2}Cd{sub 20} (R=rare earth, T=Ni, Pd) compounds with the CeCr{sub 2}Al{sub 20}-type structure

Energy Technology Data Exchange (ETDEWEB)

Burnett, V.W.; Yazici, D.; White, B.D. [Department of Physics and Center for Advanced Nanoscience, University of California, San Diego, La Jolla, CA 92093 (United States); Dilley, N.R. [Quantum Design, 6325 Lusk Boulevard, San Diego, CA 92121 (United States); Friedman, A.J.; Brandom, B. [Department of Physics and Center for Advanced Nanoscience, University of California, San Diego, La Jolla, CA 92093 (United States); Maple, M.B., E-mail: mbmaple@physics.ucsd.edu [Department of Physics and Center for Advanced Nanoscience, University of California, San Diego, La Jolla, CA 92093 (United States)

2014-07-01

Eleven new compounds, R Ni{sub 2}Cd{sub 20} (R=Y, La–Nd, Sm, Gd, Tb) and R Pd{sub 2}Cd{sub 20} (R=Ce, Pr, Sm), were grown as single crystals in high temperature cadmium-rich solutions. They crystallize in the cubic CeCr{sub 2}Al{sub 20}-type structure (Fd3{sup ¯}m, Z=8) as characterized by measurements of powder X-ray diffraction. Electrical resistivity, magnetization, and specific heat measurements were performed on R Ni{sub 2}Cd{sub 20} (R=Y, La–Nd, Sm, Gd, Tb) single crystals. Whereas YNi{sub 2}Cd{sub 20} and LaNi{sub 2}Cd{sub 20} exhibit unremarkable metallic behavior, when magnetic moments from localized 4f electron states (Gd{sup 3+}–Tb{sup 3+}) are embedded into this host, they exhibit ferromagnetic order with values of the Curie temperature T{sub C} for R Ni{sub 2}Cd{sub 20} (R=Gd, and Tb) which scale with the de Gennes factor. - Graphical abstract: Specific heat divided by temperature C/T vs. T for single crystals of R Ni{sub 2}Cd{sub 20} (R=Y, La–Nd, Gd, and Tb). Left inset: Low temperature C/T vs. T{sup 2} for LaNi{sub 2}Cd{sub 20}. The solid line represents a linear fit of the data. Right inset: Low-temperature C/T data vs. T for R=Ce–Nd, Gd, and Tb; magnetic ordering temperatures are indicated by arrows. - Highlights: • R Ni{sub 2}Cd{sub 20} (R=Y, La–Nd, Sm, Gd, Tb) single crystals synthesized for the first time. • R Pd{sub 2}Cd{sub 20} (R=Ce, Pr, Sm) single crystals synthesized for the first time. • Single crystals are of good metallurgical quality (large RRR values). • NdNi{sub 2}Cd{sub 20} orders antiferromagnetically at T{sub N}=1.5 K. • R Ni{sub 2}Cd{sub 20} (R=Sm, Gd, Tb) order ferromagnetically.

Neutron scattering study on R2PdSi3 (R=Ho,Er,Tm) compounds

International Nuclear Information System (INIS)

Tang, Fei

2010-01-01

Previous studies on the family of inter-metallic rare-earth compounds R 2 PdSi 3 revealed multifaceted magnetic properties, for instance, spin-glass like behavior. Experimental observations include: Signs of a crystallographic superstructure, complicated magnetic structures both in zero field and in applied magnetic fields as well as a generic phase in applied fields for compounds in the series with the heavy rare-earths R=Gd, Tb, Dy, Ho, Er and Tm. This thesis expands the studies on the magnetic properties of R 2 PdSi 3 employing mainly neutron scattering on single crystals with the focus on the compounds with R=Ho, Er and Tm. A detailed analysis of the crystallographic superstructure using modulation wave approach and group theory is presented. The resulting structure implies the existence of two different rare-earth sites with reduced symmetry and an arrangement of the different sites according to sequences as determined by the superstructure. It is shown that the reduced symmetry of the rare-earth sites is explicitly observed in the energy spectra of inelastic neutron scattering. The results on the magnetic structures and excitations are shown and discussed in the framework of the superstructure model. Specifically the generic phase in applied fields is interpreted as a direct consequence of the crystallographic superstructure. It is rather unusual that a crystallographic superstructure is playing such a decisive, and through the field dependence also tunable role in determining the magnetic properties as observed in R 2 PdSi 3 . The mediating interactions between the crystallographic part and the magnetic part of the system are discussed. (orig.)

Crystal structure and anisotropic magnetic properties of new ferromagnetic Kondo lattice compound Ce(Cu,Al,Si){sub 2}

Energy Technology Data Exchange (ETDEWEB)

Maurya, A.; Thamizhavel, A.; Dhar, S.K. [Department of Condensed Matter Physics & Materials Science, Tata Institute of Fundamental Research, Homi Bhabha Road, Mumbai 400 005 (India); Provino, A.; Pani, M.; Costa, G.A. [Department of Chemistry, University of Genova, Via Dodecaneso 31, 16146 Genova (Italy); Institute SPIN-CNR, Corso Perrone 24, 16152 Genova (Italy)

2017-03-15

Single crystals of the new compound CeCu{sub 0.18}Al{sub 0.24}Si{sub 1.58} have been grown by high-temperature solution growth method using a eutectic Al-Si mixture as flux. This compound is derived from the binary CeSi{sub 2} (tetragonal α-ThSi{sub 2}-type, Pearson symbol tI12, space group I4{sub 1}/amd) obtained by partial substitution of Si by Cu and Al atoms but showing full occupation of the Si crystal site (8e). While CeSi{sub 2} is a well-known valence-fluctuating paramagnetic compound, the CeCu{sub 0.18}Al{sub 0.24}Si{sub 1.58} phase orders ferromagnetically at T{sub C}=9.3 K. At low temperatures the easy-axis of magnetization is along the a-axis, which re-orients itself along the c-axis above 30 K. The presence of hysteresis in the magnetization curve, negative temperature coefficient of resistivity at high temperatures, reduced jump in the heat capacity and a relatively lower entropy released up to the ordering temperature, and enhanced Sommerfeld coefficient (≈100 mJ/mol K{sup 2}) show that CeCu{sub 0.18}Al{sub 0.24}Si{sub 1.58} is a Kondo lattice ferromagnetic, moderate heavy fermion compound. Analysis of the high temperature heat capacity data in the paramagnetic region lets us infer that the crystal electric field split doublet levels are located at 178 and 357 K, respectively, and Kondo temperature (8.4 K) is of the order of T{sub C} in CeCu{sub 0.18}Al{sub 0.24}Si{sub 1.58}.

Complex magnetic behaviour and evidence of a superspin glass state in the binary intermetallic compound Er5Pd2

Science.gov (United States)

Sharma, Mohit K.; Yadav, Kavita; Mukherjee, K.

2018-05-01

The binary intermetallic compound Er5Pd2 has been investigated using dc and ac magnetic susceptibilities, magnetic memory effect, isothermal magnetization, non-linear dc susceptibility, heat capacity and magnetocaloric effect studies. Interestingly, even though the compound does not show geometrical frustration it undergoes glassy magnetic phase transition below 17.2 K. Investigation of dc magnetization and heat capacity data divulged absence of long-ranged magnetic ordering. Through the magnetic memory effect, time dependent magnetization and ac susceptibility studies it was revealed that the compound undergoes glass-like freezing below 17.2 K. Analysis of frequency dependence of this transition temperature through scaling and Arrhenius law; along with the Mydosh parameter indicate, that the dynamics in Er5Pd2 are due to the presence of strongly interacting superspins rather than individual spins. This phase transition was further investigated by non-linear dc susceptibility and was characterized by static critical exponents γ and δ. Our results indicate that this compound shows the signature of superspin glass at low temperature. Additionally, both conventional and inverse magnetocaloric effect was observed with a large value of magnetic entropy change and relative cooling power. Our results suggest that Er5Pd2 can be classified as a superspin glass system with large magnetocaloric effect.

Novel Fe-Pd/SiO2 catalytic materials for degradation of chlorinated organic compounds in water

Science.gov (United States)

Novel reactive materials for catalytic degradation of chlorinated organic compounds in water at ambient conditions have been prepared on the basis of silica-supported Pd-Fe nanoparticles. Nanoscale Fe-Pd particles were synthesized inside porous silica supports using (NH4

Long-range p-d exchange interaction in a ferromagnet-semiconductor hybrid structure

Science.gov (United States)

Korenev, V. L.; Salewski, M.; Akimov, I. A.; Sapega, V. F.; Langer, L.; Kalitukha, I. V.; Debus, J.; Dzhioev, R. I.; Yakovlev, D. R.; Müller, D.; Schröder, C.; Hövel, H.; Karczewski, G.; Wiater, M.; Wojtowicz, T.; Kusrayev, Yu. G.; Bayer, M.

2016-01-01

Hybrid structures synthesized from different materials have attracted considerable attention because they may allow not only combination of the functionalities of the individual constituents but also mutual control of their properties. To obtain such a control an interaction between the components needs to be established. For coupling the magnetic properties, an exchange interaction has to be implemented which typically depends on wavefunction overlap and is therefore short-ranged, so that it may be compromised across the hybrid interface. Here we study a hybrid structure consisting of a ferromagnetic Co layer and a semiconducting CdTe quantum well, separated by a thin (Cd, Mg)Te barrier. In contrast to the expected p-d exchange that decreases exponentially with the wavefunction overlap of quantum well holes and magnetic atoms, we find a long-ranged, robust coupling that does not vary with barrier width up to more than 30 nm. We suggest that the resulting spin polarization of acceptor-bound holes is induced by an effective p-d exchange that is mediated by elliptically polarized phonons.

Uranium magnetism in UGa2 and U(Gasub(1-x)Alsub(x))2 compounds

International Nuclear Information System (INIS)

Ballou, R.

1983-01-01

Magnetism of intermetallic compounds of uranium is studied. A monocrystal of the highly anisotropic ferromagnetic material UGa 2 is studied by polarized neutron diffraction. Localisation of 5f electrons is evidenced. Magnetic structure of uranium in UGa 2 is determined. The pseudobinary compound U(Gasub(1-x)Alsub(x)) 2 is studied for crystal structure, ferromagnetism, paramagnetism, specific heat and resistivity [fr

Neutron scattering study on R{sub 2}PdSi{sub 3} (R=Ho,Er,Tm) compounds

Energy Technology Data Exchange (ETDEWEB)

Tang, Fei

2010-12-14

Previous studies on the family of inter-metallic rare-earth compounds R{sub 2}PdSi{sub 3} revealed multifaceted magnetic properties, for instance, spin-glass like behavior. Experimental observations include: Signs of a crystallographic superstructure, complicated magnetic structures both in zero field and in applied magnetic fields as well as a generic phase in applied fields for compounds in the series with the heavy rare-earths R=Gd, Tb, Dy, Ho, Er and Tm. This thesis expands the studies on the magnetic properties of R{sub 2}PdSi{sub 3} employing mainly neutron scattering on single crystals with the focus on the compounds with R=Ho, Er and Tm. A detailed analysis of the crystallographic superstructure using modulation wave approach and group theory is presented. The resulting structure implies the existence of two different rare-earth sites with reduced symmetry and an arrangement of the different sites according to sequences as determined by the superstructure. It is shown that the reduced symmetry of the rare-earth sites is explicitly observed in the energy spectra of inelastic neutron scattering. The results on the magnetic structures and excitations are shown and discussed in the framework of the superstructure model. Specifically the generic phase in applied fields is interpreted as a direct consequence of the crystallographic superstructure. It is rather unusual that a crystallographic superstructure is playing such a decisive, and through the field dependence also tunable role in determining the magnetic properties as observed in R{sub 2}PdSi{sub 3}. The mediating interactions between the crystallographic part and the magnetic part of the system are discussed. (orig.)

Study of hyperfine interactions in intermetallic compounds Gd(Ni,Pd,Cu)In, Tb(Ni,Pd)In, Dy(Ni,Pd)In and Ho(Ni,Pd)In

International Nuclear Information System (INIS)

Lapolli, Andre Luis

2006-01-01

Systematic behavior of magnetic hyperfine field (B hf ) in the intermetallic compounds Gd(Ni,Pd,Cu)In Tb(Ni,Pd)In, Dy(Ni,Pd)In and Ho(Ni,Pd)In was studied by Perturbed Gamma-Gamma Angular Correlation spectroscopy. The measurements of B hf were carried out at the rare earth atom and in sites using the nuclear probes 140 Ce and 11 '1Cd respectively. The variation of hyperfine field with temperature, in most cases, follows the Brillouin function predicted from the molecular field theory. The hyperfine field values at rare earth atom sites obtained from 140 Ce probe as well as at in sites obtained from 111 Cd probe for each series of compounds were extrapolated to zero Kelvin B hf (T=0) from these curves. These values were compared with the values of the literature for other compounds containing the same rare earth element and all of them show a linear relationship with the ordering temperature. This indicates that the main contribution to B hf comes from the conduction electron polarization (CEP) through Fermi contact interaction and the principal mechanism of magnetic interaction in these compounds can be described by the RKKY type interaction. The values of B hf (T=0) for each family of intermetallic compounds RNiIn and RPdIn when plotted as a function of 4f spin projection of rare earth element also shows a linear relationship. Exceptions are the results for the compounds RNiIn obtained with 111 Cd probe where a small deviation from linearity is observed. The results of the measurements carried out with the 111 Cd probe were also analyzed to obtain the hyperfine parameters of the quadrupole interaction as a function of temperature for RPdln and GdNiIn compounds. The results show that for the compound GdPdIn there might be some Gd-In disorder at high temperature. (author)

Valence band electronic structure of Nb{sub 2}Pd{sub 1.2}Se{sub 5} and Nb{sub 2}Pd{sub 0.95}S{sub 5} superconductors

Energy Technology Data Exchange (ETDEWEB)

Lohani, H. [Institute of Physics, Sachivalaya Marg, Bhubaneswar 751005 (India); Homi Bhabha National Institute, Training School Complex, Anushakti Nagar, Mumbai 400085 (India); Mishra, P. [Institute of Physics, Sachivalaya Marg, Bhubaneswar 751005 (India); Goyal, R.; Awana, V.P.S. [National Physical Laboratory(CSIR), Dr. K. S. Krishnan Road, New Delhi 110012 (India); Sekhar, B.R., E-mail: sekhar@iopb.res.in [Institute of Physics, Sachivalaya Marg, Bhubaneswar 751005 (India); Homi Bhabha National Institute, Training School Complex, Anushakti Nagar, Mumbai 400085 (India)

2017-03-15

We present a comparative study of our valence band photoemission results on Nb{sub 2}Pd{sub 1.2}Se{sub 5} and Nb{sub 2}Pd{sub 0.95}S{sub 5} superconductors which are supported by our DFT based electronic structure calculations. We observe that the VB spectra of both the compounds are qualitatively similar, except for some slight differences in the binding energy positions of all the features. This could be due to the unequal electronegativities of Se and S atom. The calculated density of states (DOS) reveals that the VB features are mainly composed of Pd-Se/S hybridized states. The nature of DOS originating from the distinctly coordinated Pd atoms is different. Further, various Pd-4d and Nb-4d states crossing the Fermi level (E{sub f}) signifies the multiband character of these compounds. In addition, we find a temperature dependent pseudogap in Nb{sub 2}Pd{sub 0.95}S{sub 5} which is absent in Nb{sub 2}Pd{sub 1.2}Se{sub 5}.

Solvent-free Hydrodeoxygenation of Bio-oil Model Compounds Cyclopentanone and Acetophenone over Flame-made Bimetallic Pt-Pd/ZrO2 Catalysts

Science.gov (United States)

Jiang, Yijiao; Büchel, Robert; Huang, Jun; Krumeich, Frank; Pratsinis, Sotiris E.; Baiker, Alfons

2013-01-01

Bimetallic Pt-Pd/ZrO2 catalysts with different Pt/Pd atomic ratio and homogeneous dispersion of the metal nanoparticles were prepared in a single step by flame-spray pyrolysis. The catalysts show high activity and tuneable product selectivity for the solvent-free hydrodeoxygenation of the bio-oil model compounds cyclopentanone and acetophenone. PMID:22674738

Graphene-ferromagnet interfaces: hybridization, magnetization and charge transfer.

Science.gov (United States)

Abtew, Tesfaye; Shih, Bi-Ching; Banerjee, Sarbajit; Zhang, Peihong

2013-03-07

Electronic and magnetic properties of graphene-ferromagnet interfaces are investigated using first-principles electronic structure methods in which a single layer graphene is adsorbed on Ni(111) and Co(111) surfaces. Due to the symmetry matching and orbital overlap, the hybridization between graphene pπ and Ni (or Co) d(z(2)) states is very strong. This pd hybridization, which is both spin and k dependent, greatly affects the electronic and magnetic properties of the interface, resulting in a significantly reduced (by about 20% for Ni and 10% for Co) local magnetic moment of the top ferromagnetic layer at the interface and an induced spin polarization on the graphene layer. The calculated induced magnetic moment on the graphene layer agrees well with a recent experiment. In addition, a substantial charge transfer across the graphene-ferromagnet interfaces is observed. We also investigate the effects of thickness of the ferromagnet slab on the calculated electronic and magnetic properties of the interface. The strength of the pd hybridization and the thickness-dependent interfacial properties may be exploited to design structures with desirable magnetic and transport properties for spintronic applications.

Ferromagnetic quantum criticality in the uranium-based ternary compounds URhSi, URhAl, and UCoAl

International Nuclear Information System (INIS)

Combier, Tristan

2014-01-01

In this thesis we explore the ferromagnetic quantum criticality in three uranium-based ternary compounds, by means of thermodynamical and transport measurements on single crystal samples, at low temperature and high pressure. URhSi and URhAl are itinerant ferromagnets, while UCoAl is a paramagnet being close to a ferromagnetic instability. All of them have Ising-type magnetic ordering. In the orthorhombic compound URhSi, we show that the Curie temperature decreases upon applying a magnetic field perpendicular to the easy magnetization axis, and a quantum phase transition is expected around 40 T. In the hexagonal system URhAl, we establish the pressure-temperature phase diagram for the first time, indicating a quantum phase transition around 5 GPa. In the isostructural compound UCoAl, we investigate the metamagnetic transition with measurements of magnetization, Hall effect, resistivity and X-ray magnetic circular dichroism. Some intriguing magnetic relaxation phenomena are observed, with step-like features. Hall effect and resistivity have been measured at dilution temperatures, under hydrostatic pressure up to 2.2 GPa and magnetic field up to 16 T. The metamagnetic transition terminates under pressure and magnetic field at a quantum critical endpoint. In this region, a strong effective mass enhancement occurs, and an intriguing difference between up and down field sweeps appears in transverse resistivity. This may be the signature of a new phase, supposedly linked to the relaxation phenomena observed in magnetic measurements, arising from frustration on the quasi-Kagome lattice of uranium atoms in this crystal structure. (author) [fr

Open innovation for phenotypic drug discovery: The PD2 assay panel.

Science.gov (United States)

Lee, Jonathan A; Chu, Shaoyou; Willard, Francis S; Cox, Karen L; Sells Galvin, Rachelle J; Peery, Robert B; Oliver, Sarah E; Oler, Jennifer; Meredith, Tamika D; Heidler, Steven A; Gough, Wendy H; Husain, Saba; Palkowitz, Alan D; Moxham, Christopher M

2011-07-01

Phenotypic lead generation strategies seek to identify compounds that modulate complex, physiologically relevant systems, an approach that is complementary to traditional, target-directed strategies. Unlike gene-specific assays, phenotypic assays interrogate multiple molecular targets and signaling pathways in a target "agnostic" fashion, which may reveal novel functions for well-studied proteins and discover new pathways of therapeutic value. Significantly, existing compound libraries may not have sufficient chemical diversity to fully leverage a phenotypic strategy. To address this issue, Eli Lilly and Company launched the Phenotypic Drug Discovery Initiative (PD(2)), a model of open innovation whereby external research groups can submit compounds for testing in a panel of Lilly phenotypic assays. This communication describes the statistical validation, operations, and initial screening results from the first PD(2) assay panel. Analysis of PD(2) submissions indicates that chemical diversity from open source collaborations complements internal sources. Screening results for the first 4691 compounds submitted to PD(2) have confirmed hit rates from 1.6% to 10%, with the majority of active compounds exhibiting acceptable potency and selectivity. Phenotypic lead generation strategies, in conjunction with novel chemical diversity obtained via open-source initiatives such as PD(2), may provide a means to identify compounds that modulate biology by novel mechanisms and expand the innovation potential of drug discovery.

Ferromagnetism of Pd-Fe (abstract)

Science.gov (United States)

Griffith, G.; Carnegie, D. W., Jr.; Claus, H.

1984-03-01

We present new low field ac susceptibility measurements on Pd1-xFex alloys (0.002≤X<0.01). The Curie temperature TC, determined from these measurements, are significantly lower than those previously obtained in higher magnetic fields [G. J. Nieuwenhuys, Adv. Phys. 24, 515 (1975)]. We also found that for a given sample, TC depends very sensitively on its heat treatment. As an example, for an alloy with 0.4 at. % Fe, TC can be varied between 4 and 10 K. In other alloys, like PdNi or RhNi similar changes in TC are due to changes in the degree of atomic short-range order [S. Crane, D. W. Carnegie, Jr., and H. Claus, J. Appl. Phys. 53, 2179 (1982)]. However, for PdFe we show evidence that the changes in TC are due to absorption of small amounts of oxygen, the samples with the highest amount of oxygen having the highest TC. It thus seems that oxygen has the opposite effect from hydrogen on the exchange enhanced susceptibility of Pd [J. A. Mydosh, Phys. Rev. Lett. 33, 1562 (1974)].

Josephson junctions with ferromagnetic interlayer

International Nuclear Information System (INIS)

Wild, Georg Hermann

2012-01-01

We report on the fabrication of superconductor/insulator/ferromagnetic metal/superconductor (Nb/AlO x /Pd 0.82 Ni 0.18 /Nb) Josephson junctions (SIFS JJs) with high critical current densities, large normal resistance times area products, and high quality factors. For these junctions, a transition from 0- to π-coupling is observed for a thickness d F =6 nm of the ferromagnetic Pd 0.82 Ni 0.18 interlayer. The magnetic field dependence of the critical current of the junctions demonstrates good spatial homogeneity of the tunneling barrier and ferromagnetic interlayer. Magnetic characterization shows that the Pd 0.82 Ni 0.18 has an out-of-plane anisotropy and large saturation magnetization indicating negligible dead layers at the interfaces. A careful analysis of Fiske modes up to about 400 GHz provides valuable information on the junction quality factor and the relevant damping mechanisms. Whereas losses due to quasiparticle tunneling dominate at low frequencies, at high frequencies the damping is explained by the finite surface resistance of the junction electrodes. High quality factors of up to 30 around 200 GHz have been achieved. They allow to study the junction dynamics, in particular the switching probability from the zero-voltage into the voltage state with and without microwave irradiation. The experiments with microwave irradiation are well explained within semi-classical models and numerical simulations. In contrast, at mK temperature the switching dynamics without applied microwaves clearly shows secondary quantum effects. Here, we could observe for the first time macroscopic quantum tunneling in Josephson junctions with a ferromagnetic interlayer. This observation excludes fluctuations of the critical current as a consequence of an unstable magnetic domain structure of the ferromagnetic interlayer and affirms the suitability of SIFS Josephson junctions for quantum information processing.

Josephson junctions with ferromagnetic interlayer

Energy Technology Data Exchange (ETDEWEB)

Wild, Georg Hermann

2012-03-04

We report on the fabrication of superconductor/insulator/ferromagnetic metal/superconductor (Nb/AlO{sub x}/Pd{sub 0.82}Ni{sub 0.18}/Nb) Josephson junctions (SIFS JJs) with high critical current densities, large normal resistance times area products, and high quality factors. For these junctions, a transition from 0- to {pi}-coupling is observed for a thickness d{sub F}=6 nm of the ferromagnetic Pd{sub 0.82}Ni{sub 0.18} interlayer. The magnetic field dependence of the critical current of the junctions demonstrates good spatial homogeneity of the tunneling barrier and ferromagnetic interlayer. Magnetic characterization shows that the Pd{sub 0.82}Ni{sub 0.18} has an out-of-plane anisotropy and large saturation magnetization indicating negligible dead layers at the interfaces. A careful analysis of Fiske modes up to about 400 GHz provides valuable information on the junction quality factor and the relevant damping mechanisms. Whereas losses due to quasiparticle tunneling dominate at low frequencies, at high frequencies the damping is explained by the finite surface resistance of the junction electrodes. High quality factors of up to 30 around 200 GHz have been achieved. They allow to study the junction dynamics, in particular the switching probability from the zero-voltage into the voltage state with and without microwave irradiation. The experiments with microwave irradiation are well explained within semi-classical models and numerical simulations. In contrast, at mK temperature the switching dynamics without applied microwaves clearly shows secondary quantum effects. Here, we could observe for the first time macroscopic quantum tunneling in Josephson junctions with a ferromagnetic interlayer. This observation excludes fluctuations of the critical current as a consequence of an unstable magnetic domain structure of the ferromagnetic interlayer and affirms the suitability of SIFS Josephson junctions for quantum information processing.

Ferromagnetic ordering and halfmetallic state in a shandite: Co3Sn2S2

Science.gov (United States)

Schnelle, Walter; Leithe-Jasper, Andreas; Rosner, Helge; Weihrich, Richard

2013-03-01

The rapid advance in spintronics challenges an improved understanding of the underlying microscopic properties. Here, we present a joint experimental and theoretical study of Co3Sn2S2 (shandite) and related compounds. From magnetic susceptibility, specific heat and magneto-transport measurements on a shandite single crystal sample we find a phase transition to a ferromagnetic metallic state at 177 K with a saturation moment of 0.92 μB/f.u. Full potential electronic structure calculations within the local spin density approximation result in a halfmetallic ferromagnetic groundstate with a moment of 1 μB/f.u. and a tiny gap in the minority spin channel. The calculated structure optimization and structure variations show that the size of the gap is rather sensitive to the lattice geometry. Possiblities to stabilize the halfmetallic ferromagnetic behavior by various substitutions have been studied theoretically and will be discussed.

Interplay of dopants and defects in making Cu doped TiO{sub 2} nanoparticle a ferromagnetic semiconductor

Energy Technology Data Exchange (ETDEWEB)

Choudhury, Biswajit, E-mail: biswa.tezu@gmail.com [Department of Physics, Tezpur University, Napaam 784028, Assam (India); Choudhury, Amarjyoti [Department of Physics, Tezpur University, Napaam 784028, Assam (India); Borah, Debajit [Department of Chemical Engineering, Indian Institute of Technology Guwahati, Guwahati 781039, Assam (India)

2015-10-15

Here we have studied the role of oxygen defects and Cu dopants on ferromagnetism in Cu doped TiO{sub 2} nanoparticles with nominal Cu concentration of 2%, 4% and 6 mol%. Electron paramagnetic resonance (EPR) spectra analysis reveals the presence of Cu{sup 2+} in the distorted octahedral coordination of TiO{sub 2}. Cu d-states undergo strong p-d coupling with the valence band O 2p state of TiO{sub 2} resulting the extended absorption hump in the visible region. Photoluminescence results reveal the presence of oxygen defect related emission peaks in Cu doped TiO{sub 2}. Room temperature ferromagnetism is observed in all the Cu doped TiO{sub 2} nanoparticles. Saturation magnetization is the highest at 4 mol% and then there is a decrease in magnetization at 6 mol%. Ferromagnetism completely disappears on calcinations of 4% Cu doped TiO{sub 2} in air at 450 °C for 8 h. It is speculated that both oxygen vacancies and Cu d-states are involved in the room temperature ferromagnetism. Spin polarization occurs by the formation of bound magnetic polaron between electrons in Cu{sup 2+}d-states and the unpaired spins in oxygen vacancies. Presence of Cu{sup 2+}-Cu{sup 2+}d-d exchange interaction and Cu{sup 2+}-O{sup 2−}-Cu{sup 2+} antiferromagnetic superexchange interactions might have resulted in the reduction in magnetization at 6 mol% Cu. - Graphical abstract: Ferromagnetism in Cu doped TiO{sub 2} requires presence of both Cu dopant and oxygen vacancies. - Highlights: • Cu doped TiO{sub 2} nanoparticle displays room temperature ferromagnetism. • Ferromagnetism requires presence of both Cu and oxygen vacancies. • Antiferromagnetic interaction persists at high Cu dopant concentration. • Paramagnetism appears on air annealing of the doped system for longer period.

Evaluation of stress-induced martensite phase in ferromagnetic shape memory alloy Fe-30.2at%Pd by non-destructive Barkhausen noise

Science.gov (United States)

Furuya, Yasubumi; Okazaki, Teiko; Ueno, Takasi; Spearing, Mark; Wutting, Manfred

2005-05-01

Barkhausen noise (BHN) method seems a useful tecnique to non-destructive evaluation of martensite phase transformation of ferromagnetic shape memory alloy, which is used as the filler of our proposing "Smart Composite Board". The concept of design for "Smart Composite Board" which can combine the non-destructive magnetic inspection and shape recovery function in the material itself was formerly proposed. In the present study, we survey the possibility of Barkhausen noise (BHN) method to detect the transformation of microscopic martensite phase caused by stress-loading in Fe-30.2at%Pd thin foil, which has a stable austenite phase (fcc structure) at room temperature. The BHN voltage was measured at loading stress up to 100 MPa in temperature range of 300K to 373K. Stress-induced martensite twin was observed by laser microscope above loading stress of 25 MPa. A phase transformation caused by loading stress were analyzed also by X-ray diffraction. The signals of BHN are analyzed by the time of magnetization and the noise frequency. BHN caused by grain boundaries appears in the lower frequency range (1kHz-3kHz) and BHN by martensite twin in the higher frequency range (8kHz-10kHz). The envelope of the BHN voltage as a function of time of magnetization shows a peak due to austenite phase at weak magnetic field. The BHN envelope due to martensite twins creates additional two peaks at intermediate magnetic field. BHN method turns out to be a powerful technique for non-destructive evaluation of the phase transformation of ferromagnetic shape memory alloy.

Shock wave induced martensitic transformations and morphology changes in Fe-Pd ferromagnetic shape memory alloy thin films

International Nuclear Information System (INIS)

Bischoff, A. J.; Arabi-Hashemi, A.; Ehrhardt, M.; Lorenz, P.; Zimmer, K.; Mayr, S. G.

2016-01-01

Combining experimental methods and classical molecular dynamics (MD) computer simulations, we explore the martensitic transformation in Fe_7_0Pd_3_0 ferromagnetic shape memory alloy thin films induced by laser shock peening. X-ray diffraction and scanning electron microscope measurements at shock wave pressures of up to 2.5 GPa reveal formation of martensitic variants with preferred orientation of the shorter c-axis of the tetragonal unit cell perpendicular to the surface plane. Moreover, consequential merging of growth islands on the film surface is observed. MD simulations unveil the underlying physics that are characterized by an austenite-martensite transformation with a preferential alignment of the c-axis along the propagation direction of the shock wave, resulting in flattening and in-plane expansion of surface features.

Domain reversal dynamics in ferromagnetic thin films of Co/Pd nanomultilayers

International Nuclear Information System (INIS)

Choe, Sug Bong; Kim, Dong Hyun; Shin, Sung Chul

2002-01-01

Domain reversal dynamics in ferromagnetic thin films has been quantitatively investigated by means of a magneto-optical microscope magnetometer (MOMM), capable of grabbing domain reversal patterns in real time under an applied magnetic field and of measuring local magnetic properties with 400-nm spatial resolution. The domain reversal behavior sensitively changed between wall-motion and nucleation-dominant behavior with changing multilayer structure of the Co-Pd multilayers. Quantitative analysis revealed that the contrasting reversal behavior was mainly caused by a sensitive change in wall-motion speed and that the reversal ratio of wall-motion speed over nucleation rate was a governing parameter for the contrasting domain reversal dynamics. The activation volumes of the wall-motion and nucleation processes were generally unequal, and the inequality was closely related with the domain dynamics. Based on a Monte-Carlo simulation, both the macroscopic magnetic properties and the local magnetic variation were responsible for the contrasting domain reversal behavior

Ferromagnetic ordering in ThSi{sub 2} type CeAu{sub 0.28}Ge{sub 1.72}

Energy Technology Data Exchange (ETDEWEB)

Sebastian, C. Peter, E-mail: s-peter@northwestern.ed [Department of Chemistry, Northwestern University, 2145 N. Sheridan Road, Evanston, IL 60208-3113 (United States); Kanatzidis, Mercouri G., E-mail: m-kanatzidis@northwestern.ed [Department of Chemistry, Northwestern University, 2145 N. Sheridan Road, Evanston, IL 60208-3113 (United States)

2010-04-15

The compound CeAu{sub 0.28}Ge{sub 1.72} crystallizes in the ThSi{sub 2} structure type in the tetragonal space group I4{sub 1}/amd with lattice parameters a=b=4.2415(6) A c=14.640(3) A. CeAu{sub 0.28}Ge{sub 1.72} is a polar intermetallic compound having a three-dimensional Ge/Au polyanion sub-network filled with Ce atoms. The magnetic susceptibility data show Curie-Weiss law behavior above 50 K. The compound orders ferromagnetically at {approx}8 K with estimated magnetic moment of 2.48 mu{sub B}/Ce. The ferromagnetic ordering is confirmed by the heat capacity data which show a rise at {approx}8 K. The electronic specific heat coefficient (gamma) value obtained from the paramagnetic temperature range 15-25 K is {approx}124(5) mJ/ mol K{sup 2}. The entropy change due to the ferromagnetic transition is {approx}4.2 J/mol K which is appreciably reduced compared to the value of R ln(2) expected for a crystal-field-split doublet ground state and/or Kondo exchange interactions. - Graphical abstract: CeAu{sub 0.28}Ge{sub 1.72} crystallizes in the ThSi{sub 2} structure type in the tetragonal space group I4{sub 1}/amd and orders ferromagnetically at {approx}8 K.

Electronic structure and magnetic properties of Pd sub(3)Fe

International Nuclear Information System (INIS)

Kuhnen, C.A.

1988-01-01

In this work we study the electronic and magnetic properties of the Pd sub(3)Fe alloy. For the ordered phase of Pd sub(3)Fe we employed the Linear Muffin-Tin Orbitals Method, with the atomic sphere approximation, which is a first principles method and includes spin polarization. The theoretical results for the thermal and magnetic properties show good agreement with experience. Here we explain the formation of the localized magnetic moments from completely itinerant electrons. We investigate the influence of the hydrogen in the physical properties of the compound Pd sub(3)Fe, where we obtain a drastic reduction in the magnetic moments at the Pd and Fe sites. This reduction is confirmed by experience. The self consistent potentials of the Pd sub(3)Fe compound were used for an analysis of the influence of the disorder in the electronic structure of Pd sub(3)Fe alloy. To this end, we employ a spin polarized version of the Green's Function Method with the Coherent Potential Approximation (or KKR-CPA). The results obtained show that in random ferromagnetic alloys different degrees of disorder occurs for the different spin directions. The formation of the magnetic moments in these alloys were explained from the existence of 'virtual crystal' states for spin up electrons and 'split band' states for spin down electrons. Finally we employ the muffin-tin orbitals to calculate the X-ray photoemission spectra of the Pd sub(3)Fe and Pd sub(3)FeH compounds, which allows us a direct comparison between theory and experiment. (author)

Magnetic evolution of itinerant ferromagnetism and interlayer antiferromagnetism in cerium doped LaCo{sub 2}P{sub 2} crystals

Energy Technology Data Exchange (ETDEWEB)

Tian, Yong; Kong, Yixiu; Liu, Kai; Zhang, Anmin [Department of Physics, Beijing Key Laboratory of Opto-electronic Functional Materials & Micro-nano Devices, Renmin University of China, Beijing 100872 (China); He, Rui [Department of Physics, University of Northern Iowa, Cedar Falls, Iowa 50614 (United States); Zhang, Qingming, E-mail: qmzhang@ruc.edu.cn [Department of Physics, Beijing Key Laboratory of Opto-electronic Functional Materials & Micro-nano Devices, Renmin University of China, Beijing 100872 (China)

2017-05-01

ThCr{sub 2}Si{sub 2}-type phosphide ACo{sub 2}P{sub 2} (A=Eu, La, Pr, Nd, Ce) has the same structure as iron arsenides, but their magnetic behaviors are quite distinct. In this paper, we grew a series of La{sub 1−x}Ce{sub x}Co{sub 2}P{sub 2} single crystals (x=0.0 to1.0), made structural and magnetic characterizations. We found the introduction of cerium induces a rapid decrease of c-axis and a change from ferromagnetic to antiferromagnetic states. Compared to other trivalent doped compounds, the enhancement of ferromagnetism with doping is suppressed and the transition from ferromagnetism to antiferromagnetism appear earlier. By employing first-principles band-structure calculations, we identify the increase of Ce valence suppress the itinerant ferromagnetism and leading to formation of P-P bonding with the shortening of c-axis. The bonding effectively drives an increase of interlayer antiferromagnetic interaction, eventually leads to antiferromagnetic ordering of cobalt in high-doping region.

On the nature of chromatic color of PdIn intermetallic compounds

International Nuclear Information System (INIS)

Nomerovannaya, L.V.; Kirillova, M.M.; Savitskij, E.M.; Polyakova, V.P.; Gorina, N.B.; Korenovskij, N.L.; AN SSSR, Moscow. Inst. Metallurgii)

1979-01-01

For the first time measured are the indexes of refraction and absorption of the six samples in the region of PdIn compound existence within the spectral range from 0.072 to 4.94 eV. The peculiarities of intersone light absoprtion are studied, the energy shift of absorption edge with the change of indium concentration is determined and the nature of the appearance of unusual colors of these compounds is explained. The refraction capacity for the normal light fall is calculated according to the values of refraction and absorption indexes. The refraction capacity curves for compounds with 42, 46, 50 at % indium content are presented, whose spectral dependence and high refraction (40-98%) show that PdIn compounds possess metallic conductivity

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.

A triple-bridged azido-Cu(II) chain compound fine-tuned by mixed carboxylate/ethanol linkers displays slow-relaxation and ferromagnetic order: synthesis, crystal structure, magnetic properties and DFT calculations.

Science.gov (United States)

Liu, Xiangyu; Chen, Sanping; Grancha, Thais; Pardo, Emilio; Ke, Hongshan; Yin, Bing; Wei, Qing; Xie, Gang; Gao, Shengli

2014-11-07

A new azido-Cu(II) compound, [Cu(4-fba)(N3)(C2H5OH)] (4-fba = 4-fluorobenzoic acid) (1), has been synthesized and characterized. The X-ray crystal structure analysis demonstrates that only one crystallographically independent Cu(II) ion in the asymmetric unit of 1 exhibits a stretched octahedral geometry in which two azido N atoms and two carboxylic O atoms locate in the equatorial square, while two ethanol O atoms occupy the apical positions, forming a 1D Cu(II) chain with an alternating triple-bridge of EO-azido, syn,syn-carboxylate, and μ2-ethanol. The title compound consists of ferromagnetically interacting ferromagnetic chains, which exhibit ferromagnetic order (T(c) = 7.0 K). The strong ferromagnetic coupling between adjacent Cu(II) ions within each chain is due to the countercomplementarity of the super-exchange pathways, whereas the ferromagnetic interchain interactions--responsible for the long-range magnetic ordering--are most likely due to the presence of coordinated ethanol molecules establishing hydrogen bonds with neighboring chains. DFT calculations have been performed on compound 1 to offer a qualitative theoretical explanation of the magnetic behavior.

Electronic structure of the half-metallic ferromagnet KCrSe2

NARCIS (Netherlands)

Dijkstra, J.; van Bruggen, Christiaan; Haas, C.; Groot, R.A. de

1989-01-01

The electronic structure of the layered compound KCrSe2 in the ferromagnetic spin arrangement is calculated using the augmented-spherical-wave method. For the minority-spin direction the Fermi level lies in a 1.34-eV-wide gap between the bottom of the Cr 3d ↓ band and the Se 4p ↓ band, while for the

Study of hyperfine interactions in intermetallic compounds Gd(Ni,Pd,Cu)In, Tb(Ni,Pd)In, Dy(Ni,Pd)In and Ho(Ni,Pd)In; Estudo de interacoes hiperfinas em compostos intermetalicos Gd(Ni,Pd,Cu)In, Tb(Ni,Pd)In, Dy(Ni,Pd)In e Ho(Ni,Pd)In

Energy Technology Data Exchange (ETDEWEB)

Lapolli, Andre Luis

2006-07-01

Systematic behavior of magnetic hyperfine field (B{sub hf}) in the intermetallic compounds Gd(Ni,Pd,Cu)In Tb(Ni,Pd)In, Dy(Ni,Pd)In and Ho(Ni,Pd)In was studied by Perturbed Gamma-Gamma Angular Correlation spectroscopy. The measurements of B{sub hf} were carried out at the rare earth atom and in sites using the nuclear probes {sup 140}Ce and {sup 11}'1Cd respectively. The variation of hyperfine field with temperature, in most cases, follows the Brillouin function predicted from the molecular field theory. The hyperfine field values at rare earth atom sites obtained from {sup 140}Ce probe as well as at in sites obtained from {sup 111}Cd probe for each series of compounds were extrapolated to zero Kelvin B{sub hf}(T=0) from these curves. These values were compared with the values of the literature for other compounds containing the same rare earth element and all of them show a linear relationship with the ordering temperature. This indicates that the main contribution to B{sub hf} comes from the conduction electron polarization (CEP) through Fermi contact interaction and the principal mechanism of magnetic interaction in these compounds can be described by the RKKY type interaction. The values of B{sub hf}(T=0) for each family of intermetallic compounds RNiIn and RPdIn when plotted as a function of 4f spin projection of rare earth element also shows a linear relationship. Exceptions are the results for the compounds RNiIn obtained with {sup 111}Cd probe where a small deviation from linearity is observed. The results of the measurements carried out with the {sup 111}Cd probe were also analyzed to obtain the hyperfine parameters of the quadrupole interaction as a function of temperature for RPdln and GdNiIn compounds. The results show that for the compound GdPdIn there might be some Gd-In disorder at high temperature. (author)

Study of hyperfine interactions in intermetallic compounds Gd(Ni,Pd,Cu)In, Tb(Ni,Pd)In, Dy(Ni,Pd)In and Ho(Ni,Pd)In; Estudo de interacoes hiperfinas em compostos intermetalicos Gd(Ni,Pd,Cu)In, Tb(Ni,Pd)In, Dy(Ni,Pd)In e Ho(Ni,Pd)In

Energy Technology Data Exchange (ETDEWEB)

Lapolli, Andre Luis

2006-07-01

Systematic behavior of magnetic hyperfine field (B{sub hf}) in the intermetallic compounds Gd(Ni,Pd,Cu)In Tb(Ni,Pd)In, Dy(Ni,Pd)In and Ho(Ni,Pd)In was studied by Perturbed Gamma-Gamma Angular Correlation spectroscopy. The measurements of B{sub hf} were carried out at the rare earth atom and in sites using the nuclear probes {sup 140}Ce and {sup 11}'1Cd respectively. The variation of hyperfine field with temperature, in most cases, follows the Brillouin function predicted from the molecular field theory. The hyperfine field values at rare earth atom sites obtained from {sup 140}Ce probe as well as at in sites obtained from {sup 111}Cd probe for each series of compounds were extrapolated to zero Kelvin B{sub hf}(T=0) from these curves. These values were compared with the values of the literature for other compounds containing the same rare earth element and all of them show a linear relationship with the ordering temperature. This indicates that the main contribution to B{sub hf} comes from the conduction electron polarization (CEP) through Fermi contact interaction and the principal mechanism of magnetic interaction in these compounds can be described by the RKKY type interaction. The values of B{sub hf}(T=0) for each family of intermetallic compounds RNiIn and RPdIn when plotted as a function of 4f spin projection of rare earth element also shows a linear relationship. Exceptions are the results for the compounds RNiIn obtained with {sup 111}Cd probe where a small deviation from linearity is observed. The results of the measurements carried out with the {sup 111}Cd probe were also analyzed to obtain the hyperfine parameters of the quadrupole interaction as a function of temperature for RPdln and GdNiIn compounds. The results show that for the compound GdPdIn there might be some Gd-In disorder at high temperature. (author)

Impact of hydrogen absorption on crystal structure and magnetic properties of RE{sub 2}T{sub 2}X compounds

Energy Technology Data Exchange (ETDEWEB)

Mašková, S., E-mail: maskova@mag.mff.cuni.cz [Department of Condensed Matter Physics, Charles University, Prague 2 (Czech Republic); Kolomiets, A. [Department of Condensed Matter Physics, Charles University, Prague 2 (Czech Republic); Department of Physics, Lviv Polytechnic National University, Lviv (Ukraine); Havela, L. [Department of Condensed Matter Physics, Charles University, Prague 2 (Czech Republic); Andreev, A.V. [Institute of Physics, AVCR, Prague 8 (Czech Republic); Svoboda, P. [Department of Condensed Matter Physics, Charles University, Prague 2 (Czech Republic)

2015-10-05

Highlights: • RE{sub 2}Pd{sub 2}In(Sn) compounds absorb, depending on RE, different amounts of hydrogen. • Compounds with the light rare earths become amorphous upon the hydrogenation. • Compounds with the heavy rare earths preserve the original tetragonal structure. • Magnetic ordering temperatures of RE{sub 2}Pd{sub 2}In compounds are reduced by the hydrogenation. - Abstract: RE{sub 2}Pd{sub 2}In, RE{sub 2}Pd{sub 2}Sn compounds (RE = rare earth) absorb, depending on the rare earth (RE) element, different amounts of hydrogen. The parent compounds RE{sub 2}Pd{sub 2}In show the linear decrease of both lattice parameters and the unit cell volume with the increasing atomic number of RE, attributed to the lanthanide contraction. All the compounds absorb at least 2 H/f.u.; the tetragonal structure is merely expanded. The expansion is anisotropic (Δc/c > Δa/a), and for RE = Tb, Dy, Ho, and Er the lattice even contracts along the a-axis (Δa/a < 0), whereas Δc/c still weakly increases. A higher H concentration can be achieved in the compounds with light rare earths (La, Nd, both for In and Sn), which then become amorphous. The magnetic ordering temperatures of all studied RE{sub 2}Pd{sub 2}In compounds are dramatically reduced by the hydrogenation, typically to the temperature range below 1.8 K.

Perpendicular magnetic anisotropy in granular multilayers of CoPd alloyed nanoparticles

Science.gov (United States)

Vivas, L. G.; Rubín, J.; Figueroa, A. I.; Bartolomé, F.; García, L. M.; Deranlot, C.; Petroff, F.; Ruiz, L.; González-Calbet, J. M.; Pascarelli, S.; Brookes, N. B.; Wilhelm, F.; Chorro, M.; Rogalev, A.; Bartolomé, J.

2016-05-01

Co-Pd multilayers obtained by Pd capping of pre-deposited Co nanoparticles on amorphous alumina are systematically studied by means of high-resolution transmission electron microscopy, x-ray diffraction, extended x-ray absorption fine structure, SQUID-based magnetometry, and x-ray magnetic circular dichroism. The films are formed by CoPd alloyed nanoparticles self-organized across the layers, with the interspace between the nanoparticles filled by the non-alloyed Pd metal. The nanoparticles show atomic arrangements compatible with short-range chemical order of L 10 strucure type. The collective magnetic behavior is that of ferromagnetically coupled particles with perpendicular magnetic anisotropy, irrespective of the amount of deposited Pd. For increasing temperature three magnetic phases are identified: hard ferromagnetic with strong coercive field, soft-ferromagnetic as in an amorphous asperomagnet, and superparamagnetic. Increasing the amount of Pd in the system leads to both magnetic hardness increment and higher transition temperatures. Magnetic total moments of 1.77(4) μB and 0.45(4) μB are found at Co and Pd sites, respectively, where the orbital moment of Co, 0.40(2) μB, is high, while that of Pd is negligible. The effective magnetic anisotropy is the largest in the capping metal series (Pd, Pt, W, Cu, Ag, Au), which is attributed to the interparticle interaction between de nanoparticles, in addition to the intraparticle anisotropy arising from hybridization between the 3 d -4 d bands associated to the Co and Pd chemical arrangement in a L 10 structure type.

Al{sub 3}Pd{sub 2}, a novel intermetallic compound: A first-principles study

Energy Technology Data Exchange (ETDEWEB)

He, Pu; Fan, Changzeng, E-mail: chzfan@ysu.edu.cn; Li, Jian

2015-11-15

The potential crystal structures of Al{sub 3}Pd{sub 2} are explored by utilizing the newly developed particle swarm optimization (PSO) algorithm for crystal structure prediction based on first-principles calculations. In addition to the previously proposed phase (t-Al{sub 3}Pd{sub 2}), a new high-pressure phase for Al{sub 3}Pd{sub 2} was found: a C2/m symmetric structure (m-Al{sub 3}Pd{sub 2}). The calculations of the elastic constants and phonon dispersions demonstrate that the new phase is mechanically and dynamically stable. The enthalpy of the new phase is found to be lower than that of the known t-Al{sub 3}Pd{sub 2} phase at an applied pressure of approximately 13 GPa. Furthermore, we also investigated the phase transition energy barrier and the effect of temperature on the phase transition between the two Al{sub 3}Pd{sub 2} phases. Based on the predicted bulk and shear moduli, the new phase behaves in a ductile manner, which is the same as the known phase. In addition, the electronic structure and the crystal orbital Hamilton population (COHP) diagrams were also calculated to provide further understanding of the transport and bonding features of the novel phase. - Highlights: • A new C2/m symmetric structure (m-Al{sub 3}Pd{sub 2}) is uncovered. • The new phase is mechanical and dynamical stable. • The t-Al{sub 3}Pd{sub 2} phase may transform into the m-Al{sub 3}Pd{sub 2} phase. • Temperature is also beneficial for the formation of the new phase. • The new phase is found to behave in a ductile manner and metallic nature.

A Comparative Discussion of the Catalytic Activity and CO2-Selectivity of Cu-Zr and Pd-Zr (Intermetallic Compounds in Methanol Steam Reforming

Directory of Open Access Journals (Sweden)

Norbert Köpfle

2017-02-01

Full Text Available The activation and catalytic performance of two representative Zr-containing intermetallic systems, namely Cu-Zr and Pd-Zr, have been comparatively studied operando using methanol steam reforming (MSR as test reaction. Using an inverse surface science and bulk model catalyst approach, we monitored the transition of the initial metal/intermetallic compound structures into the eventual active and CO2-selective states upon contact to the methanol steam reforming mixture. For Cu-Zr, selected nominal stoichiometries ranging from Cu:Zr = 9:2 over 2:1 to 1:2 have been prepared by mixing the respective amounts of metallic Cu and Zr to yield different Cu-Zr bulk phases as initial catalyst structures. In addition, the methanol steam reforming performance of two Pd-Zr systems, that is, a bulk system with a nominal Pd:Zr = 2:1 stoichiometry and an inverse model system consisting of CVD-grown ZrOxHy layers on a polycrystalline Pd foil, has been comparatively assessed. While the CO2-selectivity and the overall catalytic performance of the Cu-Zr system is promising due to operando formation of a catalytically beneficial Cu-ZrO2 interface, the case for Pd-Zr is different. For both Pd-Zr systems, the low-temperature coking tendency, the high water-activation temperature and the CO2-selectivity spoiling inverse WGS reaction limit the use of the Pd-Zr systems for selective MSR applications, although alloying of Pd with Zr opens water activation channels to increase the CO2 selectivity.

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.

Gilbert damping constant of FePd alloy thin films estimated by broadband ferromagnetic resonance

Directory of Open Access Journals (Sweden)

Kawai T.

2014-07-01

Full Text Available Magnetic relaxation of FePd alloy epitaxial thin films with very flat surfaces prepared on MgO(001 substrate are measured by in-plane broadband ferromagnetic resonance (FMR. Magnetic relaxation is investigated as Δω for FMR absorption peak by frequency sweep measurements. ΔH is calculated by using the measured Δω. Gilbert damping constant, α, is estimated by employing a straight line fitting of the resonant frequency dependence of ΔH. The α value for an FePd film deposited at 200 ˚C, which shows disordered A1 structure, is 0.010 and ΔH0, which is frequency independent part of ΔH, is 10 Oe. The α value for a film annealed at 400 ˚C, which shows partially L10 ordered structure (S=0.32, is 0.013, which is slightly larger than that for the disorder A1 structure film. However, ΔH0 for the annealed film is 85 Oe, which is much larger than that for the film with disordered structure. The results show that the magnetic relaxation of the 400 ˚C annealed film is mainly dominated by ΔH0, which is related with magnetic in-homogeneity caused by the appearance of perpendicular anisotropy of partially ordered phase.

Geometrically frustrated magnetic structures of the heavy-fermion compound CePdAl studied by powder neutron diffraction

Energy Technology Data Exchange (ETDEWEB)

Doenni, A.; Fischer, P.; Zolliker, M. [Laboratory for Neutron Scattering, ETH Zuerich and Paul Scherrer Institute, CH-5232 Villigen PSI (Switzerland); Ehlers, G.; Maletta, H. [Hahn Meitner Institute Berlin, Glienicker Strasse 100, D-14092 Berlin (Germany); Kitazawa, H. [National Research Institute for Metals, Tsukuba, Ibaraki 305 (Japan)

1996-12-09

The heavy-fermion compound CePdAl with ZrNiAl-type crystal structure (hexagonal space group P6-bar2m) was investigated by powder neutron diffraction. The triangular coordination symmetry of magnetic Ce atoms on site 3f gives rise to geometrical frustration. CePdAl orders below T{sub N} = 2.7 K with an incommensurate antiferromagnetic propagation vector k=[1/2, 0, {tau}], {tau} approx. 0.35, and a longitudinal sine-wave (LSW) modulated spin arrangement. Magnetically ordered moments at Ce(1) and Ce(3) coexist with frustrated disordered moments at Ce(2). The experimentally determined magnetic structure is in agreement with group theoretical symmetry analysis considerations, calculated by the program MODY, which confirm that for Ce(2) an ordered magnetic moment parallel to the magnetically easy c-axis is forbidden by symmetry. Further low-temperature experiments give evidence for a second magnetic phase transition in CePdAl between 0.6 and 1.3 K. Magnetic structures of CePdAl are compared with those of the isostructural compound TbNiAl, where a non-zero ordered magnetic moment for the geometrically frustrated Tb(2) atoms is allowed by symmetry. (author)

Topological phase, electronic, magnetic and optical properties of ScPdBi compound with Gd, Np and Cm impurities

Energy Technology Data Exchange (ETDEWEB)

Narimani, Mitra; Nourbakhsh, Zahra, E-mail: z.nourbakhsh@sci.ui.ac.ir

2017-07-15

Highlights: • Gd, Np and Cm impurities induce the magnetic moment in ScPdBi compound. • ScPdBi compound with Gd, Np and Cm impurities has normal band order. • The ε(0) and R(0) increase by increasing the atomic number of X atom. - Abstract: The electronic, magnetic and optical properties of X-doped ScPdBi (X = Gd, Np, Cm) are investigated in the framework of density functional theory. The exchange-correlation potential is treated using generalized gradient approximation with Coulomb interaction parameter. The band order and energy band gap of X-doped ScPdBi are investigated by calculation of band structure. The effect of doping impurity on magnetic properties of ScPdBi compound is studied by calculation of total and partial magnetic moments of X-doped ScPdBi compound. Furthermore, the optical properties of X-doped ScPdBi are calculated and compared in the energy range of 0–25 eV.

Effects of Reduced Sulfur Compounds on Pd-catalytic Hydrodechlorination of TCE in Groundwater by Cathodic H2 under Electrochemically-induced Oxidizing Conditions

Science.gov (United States)

Yuan, Songhu; Chen, Mingjie; Mao, Xuhui; Alshawabkeh, Akram N.

2014-01-01

Reduced sulfur compounds (RSCs) poison Pd catalysts for catalytic hydrodechlorination of contaminants in anoxic groundwater. This study investigates the effects of RSCs on Pd-catalytic hydrodechlorination of trichloroethylene (TCE) in oxic groundwater. Water electrolysis in an undivided electrolytic cell is used to produce H2 for TCE hydrodechlorination under oxidizing conditions. TCE is efficiently hydrodechlorinated to ethane, with significant accumulation of H2O2 under acidic conditions. Presence of sulfide at concentrations less than 93.8 μM moderately inhibits TCE hydrodechlorination and H2O2 production. Presence of sulfite at low concentrations (≤ 1 mM) significantly enhances TCE decay, while at high concentration (3 mM) inhibits initially and enhances afterwards when sulfite concentration declines to less than 1 mM. Using radical scavenging experiments and electron spin resonance assay, SO3•− which is generated from sulfite under oxidizing conditions is validated as the new reactive species contributing to the enhancement. This study reveals a distinct mechanism of effect of sulfite on TCE hydrodechlorination by Pd and H2 in oxic groundwater and presents an alternative approach to increasing resistance of Pd to RSCs poisoning. PMID:23962132

Synthesis and structure of Sr{sub 2}Pd{sub 2}In and Sr{sub 2}Pt{sub 2}In

Energy Technology Data Exchange (ETDEWEB)

Muts, I. [Inst. fuer Anorganische und Analytische Chemie, Univ. Muenster (Germany); Inorganic Chemistry Dept., Ivan Franko National Univ. of Lviv (Ukraine); Nilges, T.; Rodewald, U.C.; Poettgen, R. [Inst. fuer Anorganische und Analytische Chemie, Univ. Muenster (Germany); Zaremba, V.I. [Inorganic Chemistry Dept., Ivan Franko National Univ. of Lviv (Ukraine)

2007-12-15

The new intermetallic compounds Sr{sub 2}Pd{sub 2}In and Sr{sub 2}Pt{sub 2}In were synthesized from the elements in sealed tantalum tubes in a water-cooled sample chamber of an induction furnace. Both indides crystallize with the HT-Pr{sub 2}Co{sub 2}Al-type structure: C2/c, a = 1048.7(2), b = 603.5(2), c = 830.6(1) pm. {beta} = 103.68(2) , wR2 = 0.0492, 743 F{sup 2} values for Sr{sub 2}Pd{sub 2}In; a = 1026.8(2), b = 599.0(1), c = 830.3(2) pm, {beta} = 103.17(1) , wR2 = 0.0666, 885 F{sup 2} values for Sr{sub 2}Pt{sub 2}In with 25 variables per refinement. The shortest interatomic distances occur for the Pd-In (Pt-In) and Pd-Pd (Pt-Pt) contacts. The strontium atoms are embedded in complex three-dimensional polyanionic networks of compositions [Pd{sub 2}In] and [Pt{sub 2}In]. (orig.)

Two different one-dimensional structural motifs in [catena-{Cu(tacn)}2Pd(CN)4]Br2.[catena-Cu(tacn)Pd(CN)4]2.H2O (tacn is 1,4,7-triazacyclononane).

Science.gov (United States)

Kuchár, Juraj; Cernák, Juraj

2009-07-01

The title compound, catena-poly[[bis[(triazacyclononane-kappa(3)N,N',N'')copper(II)]-di-mu-cyanido-kappa(4)N:C-palladate(II)-di-mu-cyanido-kappa(4)C:N] dibromide bis[[(triazacyclononane-kappa(3)N,N',N'')copper(II)]-mu-cyanido-kappa(2)N:C-[dicyanidopalladate(II)]-mu-cyanido-kappa(2)C:N] monohydrate], {[Cu(2)Pd(CN)(4)(C(6)H(15)N(3))(2)]Br(2).[Cu(2)Pd(2)(CN)(8)(C(6)H(15)N(3))(2)].H(2)O}(n), (I), was isolated from an aqueous solution containing tacn.3HBr (tacn is 1,4,7-triazacyclononane), Cu(2+) and tetracyanidopalladate(2-) anions. The crystal structure of (I) is essentially ionic and built up of 2,2-electroneutral chains, viz. [Cu(tacn)(NC)-Pd(CN)(2)-(CN)-], positively charged 2,4-ribbons exhibiting the composition {[Cu(tacn)(NC)(2)-Pd(CN)(2)-Cu(tacn)](2n+)}(n), bromide anions and one disordered water molecule of crystallization. The O atom of the water molecule occupies two unique crystallographic positions, one on a centre of symmetry, which is half occupied, and the other in a general position with one-quarter occupancy. One of the tacn ligands also exhibits disorder. The formation of two different types of one-dimensional structural motif within the same structure is a unique feature of this compound.

Superconductivity near ferromagnetism in MgCNi3

International Nuclear Information System (INIS)

Rosner, H.; Weht, R.; Johannes, M.; Pickett, W.E.; Tosatti, E.

2001-06-01

Superconductivity and ferromagnetism have been believed to be incompatible over any extended temperature range until certain specific examples - RuSr 2 GdCu 2 O 8 and UGe 2 - have arisen in the past 2-3 years. The discovery of superconductivity above 8 K in MgCNi 3 , which is primarily the ferromagnetic element Ni and is strongly exchange-enhanced, provides a probable new and different example. This compound is shown here to be near ferromagnetism, requiring only hole-doping by 12% substitution of Mg by Na or Li. This system will provide the means to probe coupling, and possible coexistence, of these two forms of collective behavior without the requirement of pressure. (author)

Electronic structure of transition metal dichalcogenides PdTe2 and Cu0.05PdTe2 superconductors obtained by angle-resolved photoemission spectroscopy

International Nuclear Information System (INIS)

Liu Yan; Zhao Jian-Zhou; Yu Li; Hu Cheng; Liu De-Fa; Peng Ying-Ying; Xie Zhuo-Jin; He Jun-Feng; Chen Chao-Yu; Feng Ya; Yi He-Mian; Liu Xu; Zhao Lin; He Shao-Long; Liu Guo-Dong; Dong Xiao-Li; Zhang Jun; Lin Cheng-Tian; Chen Chuang-Tian; Xu Zu-Yan

2015-01-01

The layered transition metal chalcogenides have been a fertile land in solid state physics for many decades. Various MX 2 -type transition metal dichalcogenides, such as WTe 2 , IrTe 2 , and MoS 2 , have triggered great attention recently, either for the discovery of novel phenomena or some extreme or exotic physical properties, or for their potential applications. PdTe 2 is a superconductor in the class of transition metal dichalcogenides, and superconductivity is enhanced in its Cu-intercalated form, Cu 0.05 PdTe 2 . It is important to study the electronic structures of PdTe 2 and its intercalated form in order to explore for new phenomena and physical properties and understand the related superconductivity enhancement mechanism. Here we report systematic high resolution angle-resolved photoemission (ARPES) studies on PdTe 2 and Cu 0.05 PdTe 2 single crystals, combined with the band structure calculations. We present in detail for the first time the complex multi-band Fermi surface topology and densely-arranged band structure of these compounds. By carefully examining the electronic structures of the two systems, we find that Cu-intercalation in PdTe 2 results in electron-doping, which causes the band structure to shift downwards by nearly 16 meV in Cu 0.05 PdTe 2 . Our results lay a foundation for further exploration and investigation on PdTe 2 and related superconductors. (rapid communication)

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

Energy Technology Data Exchange (ETDEWEB)

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

2016-06-01

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

Ultrasound-accelerated synthesis of biphenyl compounds using novel Pd(0) nanoparticles immobilized on bio-composite.

Science.gov (United States)

Baran, Talat

2018-07-01

This study describes (i) an eco-friendly approach for design of Pd(0) nanoparticles on a natural composite, which is composed of carboxymethyl cellulose/agar polysaccharides (CMC/AG), without using any toxic reducing agents and (ii) development of ultrasound assisted simple protocol for synthesis of biphenyl compounds. Chemical characterization studies of Pd(0) nanoparticles (Pd NPs@CMC/AG) revealed that size of the particles were in the range of 37-55 nm. Catalytic performance of Pd NPs@CMC/AG was evaluated in synthesis of various biphenyl compounds by using the ultrasound-assisted method that was developed in this study. Pd NPs@CMC/AG exhibited excellent catalytic performance by producing high reaction yields. In addition, Pd NPs@CMC/AG was successfully used up to six reaction cycles without losing its catalytic activity, indicating high reproducibility of Pd NPs@CMC/AG. Additionally, compared to conventional the methods, new ultrasound-assisted synthesis technique that was followed in this study exhibited some advantages such as shorter reaction time, greener reaction conditions, higher yields and easier work-up. Copyright © 2018 Elsevier B.V. All rights reserved.

Pd/Nb2O5/SiO2 catalyst for the direct hydrodeoxygenation of biomass-related compounds to liquid alkanes under mild conditions.

Science.gov (United States)

Shao, Yi; Xia, Qineng; Liu, Xiaohui; Lu, Guanzhong; Wang, Yanqin

2015-05-22

A simple Pd-loaded Nb2 O5 /SiO2 catalyst was prepared for the hydrodeoxygenation of biomass-related compounds to alkanes under mild conditions. Niobium oxide dispersed in silica (Nb2 O5 /SiO2 ) as the support was prepared by the sol-gel method and characterized by various techniques, including N2 adsorption, XRD, NH3 temperature-programmed desorption (TPD), TEM, and energy-dispersive X-ray spectroscopy (EDAX) atomic mapping. The characterization results showed that the niobium oxide species were amorphous and well dispersed in silica. Compared to commercial Nb2 O5 , Nb2 O5 /SiO2 has significantly more active niobium oxide species exposed on the surface. Under mild conditions (170 °C, 2.5 MPa), Pd/10 %Nb2 O5 /SiO2 was effective for the hydrodeoxygenation reactions of 4-(2-furyl)-3-buten-2-one (aldol adduct of furfural with acetone), palmitic acid, tristearin, and diphenyl ether (model compounds of microalgae oils, vegetable oils, and lignin), which gave high yields (>94 %) of alkanes with little CC bond cleavage. More importantly, owing to the significant promotion effect of NbOx species on CO bond cleavage and the mild reaction conditions, the CC cleavage was considerably restrained, and the catalyst showed an excellent activity and stability for the hydrodeoxygenation of palmitic acid with almost no decrease in hexadecane yield (94-95 %) in a 150 h time-on-stream test. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Heat-capacity behaviour of Ce{sub 2}Pd{sub 2}In

Energy Technology Data Exchange (ETDEWEB)

Mallik, R; Sampathkumaran, E V [Tata Institute of Fundamental Research, Mumbai (India)

1997-12-31

We report here the magnetic behaviour of Ce{sub 2}Pd{sub 2}In by heat capacity (C) and magnetization studies and propose that this compound exhibits two magnetic transitions, T{sub N}=4.5K and T{sub C}=3.6K. 3 refs., 1 fig.

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

Energy Technology Data Exchange (ETDEWEB)

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

2013-11-15

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

Calculation of Gilbert damping in ferromagnetic films

Directory of Open Access Journals (Sweden)

Edwards D. M.

2013-01-01

Full Text Available The Gilbert damping constant in the phenomenological Landau-Lifshitz-Gilbert equation which describes the dynamics of magnetization, is calculated for Fe, Co and Ni bulk ferromagnets, Co films and Co/Pd bilayers within a nine-band tight-binding model with spin-orbit coupling included. The calculational effciency is remarkably improved by introducing finite temperature into the electronic occupation factors and subsequent summation over the Matsubara frequencies. The calculated dependence of Gilbert damping constant on scattering rate for bulk Fe, Co and Ni is in good agreement with the results of previous ab initio calculations. Calculations are reported for ferromagnetic Co metallic films and Co/Pd bilayers. The dependence of the Gilbert damping constant on Co film thickness, for various scattering rates, is studied and compared with recent experiments.

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

NARCIS (Netherlands)

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

2013-01-01

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

Competing ferromagnetic and anti-ferromagnetic interactions in iron nitride ζ-Fe2N

Science.gov (United States)

Rao, K. Sandeep; Salunke, H. G.

2018-03-01

The paper discusses the magnetic state of zeta phase of iron nitride viz. ζ-Fe2N on the basis of spin polarized first principles electronic structure calculations together with a review of already published data. Results of our first principles study suggest that the ground state of ζ-Fe2N is ferromagnetic (FM) with a magnetic moment of 1.528μB on the Fe site. The FM ground state is lower than the anti-ferromagnetic (AFM) state by 8.44 meV and non-magnetic (NM) state by 191 meV per formula unit. These results are important in view of reports which claim that ζ-Fe2N undergoes an AFM transition below 10 K and others which do not observe any magnetic transition up to 4.2 K. We argue that the experimental results of AFM transition below 10 K are inconclusive and we propose the presence of competing FM and AFM superexchange interactions between Fe sites mediated by nitrogen atoms, which are consistent with Goodenough-Kanamori-Anderson rules. We find that the anti-ferromagnetically coupled Fe sites are outnumbered by ferromagnetically coupled Fe sites leading to a stable FM ground state. A Stoner analysis of the results also supports our claim of a FM ground state.

Investigating unexpected magnetism of mesoporous silica-supported Pd and PdO nanoparticles

KAUST Repository

Song, Hyon Min

2015-01-13

The synthesis and magnetic behavior of matrix-supported Pd and PdO nanoparticles (NPs) are described. Mesoporous silica with hexagonal columnal packing is selected as a template, and the impregnation method with thermal annealing is used to obtain supported Pd and PdO NPs. The heating rate and the annealing conditions determine the particle size and the phase of the NPs, with a fast heating rate of 30 °C/min producing the largest supported Pd NPs. Unusual magnetic behaviors are observed. (1) Contrary to the general belief that smaller Pd NPs or cluster size particles have higher magnetization, matrix-supported Pd NPs in this study maintain the highest magnetization with room temperature ferromagnetism when the size is the largest. (2) Twin boundaries along with stacking faults are more pronounced in these large Pd NPs and are believed to be the reason for this high magnetization. Similarly, supported PdO NPs were prepared under air conditions with different heating rates. Their phase is tetragonal (P42/mmc) with cell parameters of a = 3.050 Å and c = 5.344 Å, which are slightly larger than in the bulk phase (a = 3.03 Å, c = 5.33 Å). Faster heating rate of 30 °C/min also produces larger particles and larger magnetic hysteresis loop, although magnetization is smaller and few twin boundaries are observed compared to the supported metallic Pd NPs.

Type II superconductivity in SrPd2Ge2

International Nuclear Information System (INIS)

Samuely, T; Szabó, P; Pribulová, Z; Samuely, P; Sung, N H; Cho, B K; Klein, T; Cambel, V; Rodrigo, J G

2013-01-01

Previous investigations have shown that SrPd 2 Ge 2 , a compound isostructural with ‘122’ iron pnictides but iron and pnictogen free, is a conventional superconductor with a single s-wave energy gap and a strongly three-dimensional electronic structure. In this work we reveal the Abrikosov vortex lattice formed in SrPd 2 Ge 2 when exposed to magnetic field by means of scanning tunneling microscopy and spectroscopy. Moreover, by examining the differential conductance spectra across a vortex and estimating the upper and lower critical magnetic fields by tunneling spectroscopy and local magnetization measurements, we show that SrPd 2 Ge 2 is a strong type II superconductor with κ ≫ 2 −1/2 . Also, we compare the differential conductance spectra in various magnetic fields to the pair-breaking model of Maki and de Gennes for a dirty limit type II superconductor in the gapless region. This way we demonstrate that the type II superconductivity is induced by the sample being in the dirty limit, while in the clean limit it would be a type I superconductor with κ ≪ 2 −1/2 , in concordance with our previous study (Kim et al (2012) Phys. Rev. B 85 014520). (paper)

AAg2M[VO4]2 (A=Ba,Sr; M=Co,Ni): A series of ferromagnetic insulators

Science.gov (United States)

Möller, Angela; Amuneke, Ngozi E.; Daniel, Phillip; Lorenz, Bernd; de la Cruz, Clarina R.; Gooch, Melissa; Chu, Paul C. W.

2012-06-01

AAg2M[VO4]2 with A=Sr2+ or Ba2+ present a series of layered compounds featuring a triangular lattice of transition metal cations, M = Co2+ or Ni2+, connected via nonmagnetic ortho-vanadates, which provide the magnetic superexchange within the layers. For this series of insulating compounds, ferromagnetic long-range order below 10 K is suggested by magnetization and specific heat measurements and confirmed by neutron diffraction experiments. We have investigated the impact of the spacer size of A2+ separating the layers leading to a tilting of the vanadates and consequently inducing a change in the effective magnetic correlations. Magnetization and specific heat measurements corroborate the important dependence of the magnetic superexchange on the orientation of the vanadates and the respective spin system. Furthermore, the ground state properties of the spin systems, S=1 (Ni2+) and S=3/2 (Co2+) in their respective octahedral coordination of oxygen, are evaluated. Calculated magnetic moments of the single ion complexes agree well with the magnetic structure. We, furthermore, report the dependence of Tc on applied isotropic pressure suggestive of a pressure effect on the effective ferromagnetic exchange coupling constants. In addition spectroscopic investigations probing the electronic structure of the [MO6] complexes and the vibrational structure of the [VO4] units are given.

Valence behavior of Eu-ions in intermetallic compound Ce{sub 0.5}Eu{sub 0.5}Pd{sub 3}B{sub 0.5}

Energy Technology Data Exchange (ETDEWEB)

Pandey, Abhishek, E-mail: apandey@ameslab.gov [Experimental Condensed Matter Physics Division, Saha Institute of Nuclear Physics, 1/AF, Bidhannagar, Kolkata 700064 (India); S.N. Bose National Centre for Basic Sciences, Block-JD, Sector-III, Salt Lake, Kolkata 700098 (India); Mazumdar, Chandan, E-mail: chandan.mazumdar@saha.ac.in [S.N. Bose National Centre for Basic Sciences, Block-JD, Sector-III, Salt Lake, Kolkata 700098 (India); Ranganathan, R. [S.N. Bose National Centre for Basic Sciences, Block-JD, Sector-III, Salt Lake, Kolkata 700098 (India); Raghavendra Reddy, V.; Gupta, Ajay [UGC-DAE Consortium for Scientific Research, University Campus, Khandawa Road, Indore (India)

2011-12-15

We have studied the valence behavior of rare-earth ions, in particular Eu-ions, in a cubic intermetallic compound Ce{sub 0.5}Eu{sub 0.5}Pd{sub 3}B{sub 0.5} which is a homogeneous solid solution of two mixed-valent compounds CePd{sub 3} and EuPd{sub 3}B. Results of {sup 151}Eu Moessbauer spectroscopic measurements show that two different valence states, i.e., divalent- and trivalent-like states of Eu-ions exist in the compound. The possible reason for the observed heterogeneous valency vis-a-vis the variation in the chemical environment and the number of nearest-neighbor B atoms surrounding the Eu-ions has been discussed. Our results demonstrate that B incorporation in such Eu-based cubic intermetallic compounds leads to a situation where heterogeneous-valence state of Eu-ions is an energetically favorable ground state. - Highlights: > Intermetallic compound Ce{sub 0.5}Eu{sub 0.5}Pd{sub 3}B{sub 0.5} crystallizes in a single phase. > Eu-ions in Ce{sub 0.5}Eu{sub 0.5}Pd{sub 3}B{sub 0.5} are charge-ordered compared to +2.3 valency in Ce{sub 0.5}Eu{sub 0.5}Pd{sub 3}. > B incorporation makes charge-ordered state of Eu-ions energetically more favorable. > Nearest-neighbor chemical environment affects the Eu valency.

Quantum chemical analysis of binary and ternary ferromagnetic alloys; Quantenchemische Untersuchungen binaerer und ternaerer ferromagnetischer Legierungen

Energy Technology Data Exchange (ETDEWEB)

Jacobs, Yasemin Erika Charlotte

2007-02-23

. Finite temperature effects (Curie temperatures) are analysed using the mean-field description, and a surprisingly simple relationship between structural properties and the Curie temperature is found. The magnetic exchange parameters and also Curie temperatures decrease along the row Cu, Ni, Rh, Pd. The X-Mn interactions are limited by first neighbors while Mn-Mn interactions are quite long ranged. Non-spin-polarized COHP bonding analyses evidence antibonding metal-metal interactions as a prerequisite for becoming ferromagnetic, and these show up for the 3d-metal-Mn and also 4d-metal-Mn combinations but not for the wider Mn-Mn interactions. As an exception to this rule, the Cu2MnZ class of compounds evidences, on the opposite, large antibonding Mn-Mn interactions at the Fermi level. (orig.)

Superconductivity in Pd-Intercalated Ternary Rare-Earth Polychalcogenide NdSeTe_2

International Nuclear Information System (INIS)

Wang Pei-Pei; Xue Mian-Qi; Long Yu-Jia; Zhao Ling-Xiao; Cai Yao; Yang Huai-Xin; Li Jian-Qi; Ren Zhi-An; Chen Gen-Fu

2015-01-01

We synthesize a set of Pd-doped polycrystalline samples Pd_xNdSeTe_2 and measure their physical properties. Compared with pure NdSeTe_2, the charge density wave (CDW) order is continuously suppressed with the Pd-intercalation. Bulk superconductivity first appears at x = 0.06 with T_c nearly 2.5K, coexisting with a CDW transition at 176K. Further Pd-doping enhances T_c, until it reaches the maximum value 2.84K at x=0.1, meanwhile the CDW transition vanishes. The upper critical field for the optimal doping sample Pd_0_._1NdSeTe_2 is determined from the R-H measurement, which is estimated to be 0.6 T. These results provide another kind of ideal compound for studying the interplay between CDW and superconductivity systematically. (paper)

Magnetic exitations in the itinerant ferromagnet UFe₂

DEFF Research Database (Denmark)

Paolasini, L.; Lander, G.H.; Shapiro, S.M.

1996-01-01

UFe2 (Laves phase, fee crystal structure) is a ferromagnet with T-C=165 K, Previous neutron elastic measurements have established that the Fe moment is 0.6 mu(B) and that the moment on the U atom is almost zero because of the cancellation of the spin and orbital moments, which are both about 0.23...... electrons. We find also that D is strongly temperature dependent, presumably due to two-magnon interactions. Thus, this effect, together with the low moment on the Fe atoms, results in the comparatively low, as compared to the RFe(2) compounds, T-C of 165 K in UFe2....

Ferromagnetic characteristics of HfFe2

International Nuclear Information System (INIS)

Novakovic, N.; Belosevic-Cavor, J.; Cekic, B.; Manasijevic, M.; Milosevic, Z. . E-mail address of correspoding author: novnik@rt270.vin.bg.ac.yu; Novakovic, N.)

2003-01-01

The magnetic hyperfine fields at 181 Ta ion-probe sites in the HfFe 2 polycrystalline binary compound were measured using the time-differential perturbed angular correlation (TDPAC) method. Measurements were performed in the absence of polarizing external magnetic field, at room temperature. The existence of two different structures, dominant cubic MgCu 2 -type and hexagonal MgZn 2 -type in our HfFe 2 sample was refined. Both structures are ferromagnetic with Curie temperatures, which differ significantly (588 K for MgCu 2 and 427 K for MgZn 2 ). The corresponding values of hyperfine fields are H hf 13.8±0.1 T for MgCu 2 -type structure and H hf = 8.0±0.2 T for MgZn 2 -type structure. Calculations using LAPW-Wien 97 program package are in progress and preliminary results are in good agreement with experiment. The analysis includes qualitative explanation of the exchange interactions mechanism between magnetic dipole moment of the observed 181 Ta ion-probe and magnetic dipole moments of the nearest neighbours on the corresponding coordination polyhedra. All these results will be published recently. (author)

Structural and electronic properties of LaPd2As2 superconductor: First-principle calculations

Science.gov (United States)

Singh, Birender; Kumar, Pradeep

2017-05-01

In present work we have studied electronic and structural properties of superconducting LaPd2As2 compound having collapsed tetragonal structure using first-principle calculations. The band structure calculations show that the LaPd2As2 is metallic consistent with the reported experimental observation, and the density of states plots clearly shows that at the Fermi level major contribution to density of states arises from Pd 4d and As 4p states, unlike the Fe-based superconductors where major contribution at the Fermi level comes from Fe 3d states. The estimated value of electron-phonon coupling is found to be 0.37, which gives the upper bound of superconducting transition temperature of 5K, suggesting the conventional nature of this superconductor.

Correlation between magnetostriction and magnetic structure in pseudobinary compounds Tb(Co1-xFex2

Directory of Open Access Journals (Sweden)

Yue Wang

2017-07-01

Full Text Available Giant low-field magnetostriction has been achieved in pseudobinary Laves phase compounds RR’T2 (R and R’: rare earth elements; T: transition metal elements around the ferromagnetic - ferromagnetic (ferro.-ferro. transition temperature. Evolution of the magnetic structure across such transition requires comprehensive investigation. In this work, pseudobinary system Tb(Co1-xFex2 is selected to investigate the evolution of local magnetic moment, for which two end terminals TbCo2 and TbFe2 possess the rhombohedral (R structure at the ferromagnetic state but with different magnetic ordering temperatures (TC. Magnetometry measurements reveal that a composition independent ferromagnetic - ferromagnetic transition occurs at ∼100 K despite the increased Curie temperature TC with raised Fe concentration in the Tb(Co1-xFex2. Synchrotron XRD data reveal that both the lattice parameter and the lattice strain along the direction are abnormally temperature dependent, accompanied with experimentally observed magnetostriction abnormality at 100 K. In-situ neutron powder diffraction (NPD results show that the local magnetic moments of T2 (9e site atoms are also abnormally temperature dependent, which is larger at 100 K than that at a lower temperature 50 K. Such findings indicate close correlations between the magnetic structure and the magnetostrictive effect in the pseudobinary RT2 compounds.

Spin correlations in (Mn,Fe)2(P,Si) magnetocaloric compounds above Curie temperature

NARCIS (Netherlands)

Miao, X.F.; Caron, L.; Gubbens, P.C.M.; Yaouanc, A; Dalmas de Réotier, P; Luetkens, H.; Amato, A; van Dijk, N.H.; Brück, E.H.

2016-01-01

The longitudinal-field muon-spin relaxation (LF-μSR) technique was employed to study the spin correlations in (Mn,Fe)2(P,Si) compounds above the ferromagnetic transition temperature (TC). The (Mn,Fe)2(P,Si) compound under study is found to show itinerant magnetism. The standard deviation of the

Crystal growth of uranium compounds and study of UGe2

International Nuclear Information System (INIS)

Taufour, V.

2011-01-01

In this thesis, the study on the superconducting ferromagnet UGe 2 is presented. Crystal growth of UGe 2 single crystals was realized in a tetra-arc furnace using the Czochralski technique. This technique was also used to obtain high quality single crystals of other uranium compounds, notably UCoGe and URu 2 Si 2 . The Curie temperature of UGe 2 (T(Curie) = 53 K) decreases with pressure and is suppressed at p c = 1.5 GPa. Before being suppressed, the ferromagnetic transition changes from second to first order at a tricritical point. Precise resistivity and Hall resistivity measurements under pressure and magnetic field revealed the position of the tricritical point as well as its evolution under magnetic field which draw a wing structure phase diagram. Despite the theoretical prediction that this diagram is general for a ferromagnet, here we present the first experimental observation. Other measurements focus on the superconductivity (T sc = 0.75 K) which coexists with ferromagnetism under pressure. The bulk nature of the superconductivity is investigated by AC calorimetry measurements under pressure. The attention is turned to the interesting phenomenon of field enhanced superconductivity. (author) [fr

Collapse of ferromagnetism in itinerant-electron system: A magnetic, transport properties, and high pressure study of (Hf,Ta)Fe2 compounds

Science.gov (United States)

Diop, L. V. B.; Kastil, J.; Isnard, O.; Arnold, Z.; Kamarad, J.

2014-10-01

The magnetism and transport properties were studied for Laves (Hf,Ta)Fe2 itinerant-electron compounds, which exhibit a temperature-induced first-order transition from the ferromagnetic (FM) to the antiferromagnetic (AFM) state upon heating. At finite temperatures, the field-induced metamagnetic phase transition between the AFM and FM has considerable effects on the transport properties of these model metamagnetic compounds. A large negative magnetoresistance of about 14% is observed in accordance with the metamagnetic transition. The magnetic phase diagram is determined for the Laves Hf1-xTaxFe2 series and its Ta concentration dependence discussed. An unusual behavior is revealed in the paramagnetic state of intermediate compositions, it gives rise to the rapid increase and saturation of the local spin fluctuations of the 3d electrons. This new result is analysed in the frame of the theory of Moriya. For a chosen composition Hf0.825Ta0.175Fe2, exhibiting such remarkable features, a detailed investigation is carried out under hydrostatic pressure up to 1 GPa in order to investigate the volume effect on the magnetic properties. With increasing pressure, the magnetic transition temperature TFM-AFM from ferromagnetic to antiferromagnetic order decreases strongly non-linearly and disappears at a critical pressure of 0.75 GPa. In the pressure-induced AFM state, the field-induced first-order AFM-FM transition appears and the complex temperature dependence of the AFM-FM transition field is explained by the contribution from both the magnetic and elastic energies caused by the significant temperature variation of the amplitude of the local Fe magnetic moment. The application of an external pressure leads also to the progressive decrease of the Néel temperature TN. In addition, a large pressure effect on the spontaneous magnetization MS for pressures below 0.45 GPa, dln(Ms)/dP = -6.3 × 10-2 GPa-1 was discovered. The presented results are consistent with Moriya

Transport anisotropy and electron correlations in the layered molecular compounds Z [Pd(dmit)2] 2 (Z =Me4N ,Et2Me2As ,EtMe3P ) with different interlayer coupling

Science.gov (United States)

Shimizu, Yasuhiro; Kato, Reizo

2018-03-01

In-plane resistivity ρ∥ and out-of-plane resistivity ρ⊥ were investigated across the pressure-induced Mott transition in molecular Mott insulators Z [Pd(dmit)2] 2 (Z =Et2Me2As , Me4N , and EtMe3P ) having a triangular lattice. All three compounds exhibit superconducting transition with Tc=5.5 -7.0 K in the metallic phase near the Mott insulating phase. For the β'-Et2Me2As salt, the anisotropy ρ⊥/ρ∥ exceeds 103 at low temperatures, indicating a highly two-dimensional electronic state with incoherent interlayer hopping. The β -Me4N salt has a smaller ρ⊥/ρ∥ exhibiting a weak interlayer coupling. The resistivity is dominated by electron-electron scattering in the metallic state for these two compounds, as expected in a correlated Fermi liquid. On the other hand, the EtMe3P salt with a valence bond order state becomes a nearly three-dimensional metal across the Mott transition, in which the electron correlation is strongly suppressed. Instead, the electron-phonon scattering plays a significant role in the resistivity. The different interlayer coherence is quantitatively explained by the calculated interlayer transfer integrals between Pd (dmit) 2 molecules. These results suggest that the dimensionality governs the nature of electron correlations in the Fermi liquid state.

Permanganate oxidation of sulfur compounds to prevent poisoning of Pd catalysts in water treatment processes.

Science.gov (United States)

Angeles-Wedler, Dalia; Mackenzie, Katrin; Kopinke, Frank-Dieter

2008-08-01

The practical application of Pd-catalyzed water treatment processes is impeded by catalyst poisoning by reduced sulfur compounds (RSCs). In this study, the potential of permanganate as a selective oxidant for the removal of microbially generated RSCs in water and as a regeneration agent for S-poisoned catalysts was evaluated. Hydrodechlorination using Pd/Al2O3 was carried out as a probe reaction in permanganate-pretreated water. The activity of the Pd catalysts in the successfully pretreated reaction medium was similar to that in deionized water. The catalyst showed no deactivation behavior in the presence of permanganate at a concentration level or = 0.08 mM, a significant but temporary inhibition of the catalytic dechlorination was observed. Unprotected Pd/Al2O3, which had been completely poisoned by sulfide, was reactivated by a combined treatment with permanganate and hydrazine. However, the anthropogenic water pollutants thiophene and carbon disulfide were resistant against permanganate. Together with the preoxidation of catalyst poisons, hydrophobic protection of the catalysts was studied. Pd/zeolite and various hydrophobically coated catalysts showed a higher stability against ionic poisons and permanganate than the uncoated catalyst. By means of a combination of oxidative water pretreatment and hydrophobic catalyst protection, we provide a new tool to harness the potential of Pd-catalyzed hydrodehalogenation for the treatment of real waters.

Ferromagnetism and Crystalline Electric Field Effects in Cubic UX2Zn20 (X=Co, Rh, Ir)

Science.gov (United States)

Bauer, E. D.; Ronning, F.; Silhanek, A.; Harrison, N.; Thompson, J. D.; Sarrao, J. L.; Movshovich, R.; Hundley, M. F.; Jaime, M.; Daniel, E.; Booth, C. H.

2006-03-01

The properties of a new class of cubic UX2Zn20 (X=Co, Rh, Ir) heavy fermion compounds have been investigated by means of magnetic susceptibility, specific heat, electrical resistivity, and x-ray absorption spectroscopy. Both UCo2Zn20 and URh2Zn20 show peaks in C(T) and χ(T) at ˜5-10 K suggesting the presence of crystalline electric field (CEF) effects in these materials, i.e., a localized 5f^2 configuration of uranium. In addition, measurements in high magnetic fields up to 40 T are consistent with a CEF model of a nonmagnetic ground state and a magnetic first excited state separated by ˜ 20 K. In contrast, UIr2Zn20 exhibits a first-order ferromagnetic transition at Tc=2.75 K with a saturation moment μsat=0.5 μB in the ferromagnetic state. All compounds in this series are heavy fermion materials with enhanced electronic specific heat coefficients γ˜ 150-300 mJ/molK^2. The physical properties of UX2Zn20 (X=Co, Rh, Ir) will be discussed.

Structural and magnetic properties of granular CoPd multilayers

Energy Technology Data Exchange (ETDEWEB)

Vivas, L.G.; Figueroa, A.I.; Bartolomé, F. [Instituto de Ciencia de Materiales de Aragón (ICMA), CSIC-Universidad de Zaragoza, Dept. de Física de la Materia Condensada, E-50009 Zaragoza (Spain); Rubín, J. [Instituto de Ciencia de Materiales de Aragón (ICMA), CSIC-Universidad de Zaragoza, Dept. de Ciencia y Tecnología de Materiales y Fluidos, E-50018 Zaragoza (Spain); García, L.M. [Instituto de Ciencia de Materiales de Aragón (ICMA), CSIC-Universidad de Zaragoza, Dept. de Física de la Materia Condensada, E-50009 Zaragoza (Spain); Deranlot, C.; Petroff, F. [Unité Mixte de Physique CNRS/Thales, F-91767 Palaiseau Cedex, France and Université Paris-Sud, F-191405 Orsay Cedex (France); Ruiz, L.; González-Calbet, J.M [Dept. de Química Inorgánica, Universidad Complutense de Madrid, E-28040 Madrid (Spain); Brookes, N.B.; Wilhelm, F.; Rogalev, A. [European Synchrotron Radiation Facility (ESRF), CS40220, F-38043 Grenoble Cedex 9 (France); Bartolomé, J. [Instituto de Ciencia de Materiales de Aragón (ICMA), CSIC-Universidad de Zaragoza, Dept. de Física de la Materia Condensada, E-50009 Zaragoza (Spain)

2016-02-15

Multilayers of bimetallic CoPd alloyed and assembled nanoparticles, prepared by room temperature sequential sputtering deposition on amorphous alumina, were studied by means of high-resolution transmission electron microscopy, x-ray diffraction, SQUID-based magnetometry and x-ray magnetic circular dichroism. Alloying between Co and Pd in these nanoparticles gives rise to a high perpendicular magnetic anisotropy. Their magnetic properties are temperature dependent: at low temperature, the multilayers are ferromagnetic with a high coercive field; at intermediate temperature the behavior is of a soft-ferromagnet, and at higher temperature, the perpendicular magnetic anisotropy in the nanoparticles disappears. The magnetic orbital moment to spin moment ratio is enhanced compared with Co bare nanoparticles and Co fcc bulk. - Highlights: • CoPd granular nanolayers show perpendicular magnetic anisotropy. • Three magnetic phases are detected: hard-ferro, soft-ferro and superparamagnetism. • The nanoparticles have Co-core and CoPd alloy shell morphology.

Structural and magnetic properties of granular CoPd multilayers

International Nuclear Information System (INIS)

Vivas, L.G.; Figueroa, A.I.; Bartolomé, F.; Rubín, J.; García, L.M.; Deranlot, C.; Petroff, F.; Ruiz, L.; González-Calbet, J.M; Brookes, N.B.; Wilhelm, F.; Rogalev, A.; Bartolomé, J.

2016-01-01

Multilayers of bimetallic CoPd alloyed and assembled nanoparticles, prepared by room temperature sequential sputtering deposition on amorphous alumina, were studied by means of high-resolution transmission electron microscopy, x-ray diffraction, SQUID-based magnetometry and x-ray magnetic circular dichroism. Alloying between Co and Pd in these nanoparticles gives rise to a high perpendicular magnetic anisotropy. Their magnetic properties are temperature dependent: at low temperature, the multilayers are ferromagnetic with a high coercive field; at intermediate temperature the behavior is of a soft-ferromagnet, and at higher temperature, the perpendicular magnetic anisotropy in the nanoparticles disappears. The magnetic orbital moment to spin moment ratio is enhanced compared with Co bare nanoparticles and Co fcc bulk. - Highlights: • CoPd granular nanolayers show perpendicular magnetic anisotropy. • Three magnetic phases are detected: hard-ferro, soft-ferro and superparamagnetism. • The nanoparticles have Co-core and CoPd alloy shell morphology.

2. Intermetallic compounds with lanthanides

International Nuclear Information System (INIS)

Elemans, J.B.A.A.

1975-01-01

Theoretical considerations are given concerning the structures of intermetallic compounds of the lanthanides and thorium (R) on the one hand, and with Fe, Co or Ni (M) on the other. They all derive from the parent composition RM 5 with the CaCu 5 hexagonal structure. This consists of alternate layers in which the M atoms are distinguished as M 1 and M 2 . The other compounds whose structures are studied are obtained by systematic replacement of R by M, or vice versa. In the first type, every third R is replaced by two M's yielding R 2 M 17 compounds. The substitution may be truly random or structured in two ways: so that either the hexagonal structure is maintained or that it is converted into a rhombihedral one. In the second type, one M (in a M 1 position) out of every five is replaced by one R, giving rise to RM 2 compounds which form Laves phases. In the third type, the M 1 's are replaced by R's, resulting in compounds RM 3 . In the fourth type, every third M is replaced by R, yielding R 2 M 7 compounds. With M = Co and R a light lanthanide, the compounds are ferromagnets; with R yttrium, thorium, or a heavy lanthanide, they are ferrimagnets. The preparation of the compounds in an arc-melting apparatus under an Ar-atmosphere followed by annealing is described

First-principles study on half-metallic ferromagnetic properties of Zn1- x V x Se ternary alloys

Science.gov (United States)

Khatta, Swati; Tripathi, S. K.; Prakash, Satya

2017-09-01

The spin-polarised density functional theory along with self-consistent plane-wave pseudopotential is used to investigate the half-metallic ferromagnetic properties of ternary alloys Zn1- x V x Se. The generalized gradient approximation is used for exchange-correlation potential. The equilibrium lattice constants, bulk modulus, and its derivatives are calculated. The calculated spin-polarised energy-band structures reveal that these alloys are half-metallic for x = 0.375 and 0.50 and nearly half-metallic for other values of x. The estimated direct and indirect bandgaps may be useful for the magneto-optical absorption experiments. It is found that there is strong Zn 4s, Se 4p, and V 3d orbital hybridization in the conduction bands of both the spins, while Se 4p and V 3d orbital hybridization predominates in the valence bands of both the spins. The s, p-d, and p-d orbital hybridization reduces the local magnetic moment of V atoms and small local magnetic moments are produced on Zn and Se atoms which get coupled with V atoms in ferromagnetic and antiferromagnetic phases, respectively. The conduction and valence-band-edge splittings and exchange constants predict the ferromagnetism in these alloys. The conduction band-impurity (s and p-d) exchange interaction is more significant for ferromagnetism in these alloys than the valence band-impurity (p-d) exchange interaction.

Investigation of electronic, magnetic and thermoelectric properties of Zr{sub 2}NiZ (Z = Al,Ga) ferromagnets

Energy Technology Data Exchange (ETDEWEB)

Yousuf, Saleem, E-mail: nengroosaleem17@gmail.com; Gupta, Dinesh C., E-mail: sosfizix@gmail.com

2017-05-01

Systematic investigation of impact of electronic structure and magnetism, on the thermoelectric properties of new Zr{sub 2}NiZ (Z = Al, Ga) Heusler alloys are determined using density functional theory calculations. Half-metallicity with ferromagnetic character is supported by their 100% spin polarizations at the Fermi level. Magnetic moment of ∼3 μ{sub B} is according to the Slater-Puling rule, enables their practical applications. Electron density plots are used to analyse the nature of bonding and chemical composition. Boltzmann's theory is conveniently employed to investigate the thermoelectric properties of these compounds. The analysis of the thermal transport properties specifies the Seebeck coefficient as 25.6 μV/K and 18.6 μV/K at room temperature for Zr{sub 2}NiAl and Zr{sub 2}NiGa, respectively. The half-metallic nature with efficient thermoelectric coefficients suggests the likelihood of these materials to have application in designing spintronic devices and imminent thermoelectric materials. - Highlights: • The compounds are half-metallic ferromagnets. • 100% spin-polarized compounds for spintronics. • Increasing Seebeck coefficient over a wide temperature range. • Zr{sub 2}NiAl is efficient thermoelectric material than Zr{sub 2}NiGa.

Magnetic nesting and co-existence of ferromagnetism and superconductivity

International Nuclear Information System (INIS)

Elesin, V.F.; Kapaev, V.V.; Kopaev, Yu.V.

2004-01-01

In the case of providing for the magnetic nesting conditions of the electron spin dispersion law the co-existence of ferromagnetism and superconductivity is possible by any high magnetization. The co-existence of ferromagnetism and superconductivity in the layered cuprate compounds of the RuSr 2 GdCu 2 O 8 -type is explained on this basis, wherein due to the nonstrict provision of the magnetic nesting condition there exists the finite but sufficiently high critical magnetization [ru

Role of atomic bonding for compound and glass formation in Ni-Si, Pd-Si, and Ni-B systems

Science.gov (United States)

Tanaka, K.; Saito, T.; Suzuki, K.; Hasegawa, R.

1985-11-01

Valence electronic structures of crystalline compounds and glassy alloys of Ni silicides, Pd silicides, and Ni borides are studied by soft-x-ray spectroscopy over wide ranges of Si and B concentrations. The samples prepared include bulk compounds, glassy ribbons, and amorphous sputtered films. Silicon Kβ emissions of Ni and Pd silicides generally consist of a prominent peak fixed at ~=4.5 and ~=5.8 eV below the Fermi level EF, respectively, with a shoulder near EF which grows and shifts toward lower energy with increasing Si concentration. The former is identified as due to Si p-like states forming Si 3p-Ni 3d or Si 3p-Pd 4d bonding states while the latter as due to the corresponding antibonding states. Ni L3 and Pd L3 emissions of these silicides indicate that Ni 3d and Pd 4d states lie between the above two states. These local electronic configurations are consistent with partial-density-of-states (PDOS) calculations performed by Bisi and Calandra. Similar electronic configurations are suggested for Ni borides from B Kα and Ni L3 emissions. Differences of emission spectra between compounds and glasses of similar compositions are rather small, but some enhancement of the contribution of antibonding states to the PDOS near EF is suggested for certain glasses over that of the corresponding compounds. These features are discussed in connection with the compound stability and glass formability.

Effect of an in-plane ligand on the electronic structures of bromo-bridged nano-wire Ni-Pd mixed-metal complexes, [Ni(1-x)Pd(x)(bn)2Br]Br2 (bn = 2S,3S-diaminobutane).

Science.gov (United States)

Sasaki, Mari; Wu, Hashen; Kawakami, Daisuke; Takaishi, Shinya; Kajiwara, Takashi; Miyasaka, Hitoshi; Breedlove, Brian K; Yamashita, Masahiro; Kishida, Hideo; Matsuzaki, Hiroyuki; Okamoto, Hiroshi; Tanaka, Hisaaki; Kuroda, Shinichi

2009-08-03

Single crystals of quasi-one-dimensional bromo-bridged Ni-Pd mixed-metal complexes with 2S,3S-diaminobutane (bn) as an in-plane ligand, [Ni(1-x)Pd(x)(bn)(2)Br]Br(2), were obtained by using an electrochemical oxidation method involving mixed methanol/2-propanol (1:1) solutions containing different ratios of [Ni(II)(bn)(2)]Br(2) and [Pd(II)(bn)(2)]Br(2). To investigate the competition between the electron-correlation of the Ni(III) states, or Mott-Hubbard states (MH), and the electron-phonon interaction of the Pd(II)-Pd(IV) mixed valence states, or charge-density-wave states (CDW), in the Ni-Pd mixed-metal compounds, X-ray structure analyses, X-ray oscillation photograph, and Raman, IR, ESR, and single-crystal reflectance spectra were analyzed. In addition, the local electronic structures of Ni-Pd mixed-metal single crystals were directly investigated by using scanning tunneling microscopy (STM) at room temperature and ambient pressure. The oxidation states of [Ni(1-x)Pd(x)(bn)(2)Br]Br(2) changed from a M(II)-M(IV) mixed valence state to a M(III) MH state at a critical mixing ratio (x(c)) of approximately 0.8, which is lower than that of [Ni(1-x)Pd(x)(chxn)(2)Br]Br(2) (chxn = 1R,2R-diaminocyclohexane) (x(c) approximately 0.9) reported previously. The lower value of x(c) for [Ni(1-x)Pd(x)(bn)(2)Br]Br(2) can be explained by the difference in their CDW dimensionalities because the three-dimensional CDW ordering in [Pd(bn)(2)Br]Br(2) observed by using X-ray diffuse scattering stabilizes the Pd(II)-Pd(IV) mixed valence state more than two-dimensional CDW ordering in [Pd(chxn)(2)Br]Br(2) does, which has been reported previously.

Evaluation of interlayer ferromagnetic coupling for stacked media by adding reference layer

International Nuclear Information System (INIS)

Tham, K K; Saito, S; Itagaki, N; Hinata, S; Takahashi, M; Hasegawa, D

2011-01-01

The trial for quantitative evaluation of interlayer ferromagnetic coupling between granular and cap layer in stacked media is reported. The evaluation is realized by analyzing M-H loop of stacked media with another reference layer added on the cap layer. The reference layer is antiferromagnetically coupled with the cap layer through non-magnetic spacer layer. In this experiment, Rh which leads to antiferromagnetic coupling constant along film normal direction of around 2 erg/cm 2 was used as non-magnetic spacer layer. According to the evaluation result done by this method, when thickness of the spacer Pd layer between granular layer and cap layer is increased to 1.1 nm, ferromagnetic coupling constant is weakened to 7.2 erg/cm 2 which results in reduction of saturation field.

Carrier concentration induced ferromagnetism in semiconductors

International Nuclear Information System (INIS)

Story, T.

2007-01-01

In semiconductor spintronics the key materials issue concerns ferromagnetic semiconductors that would, in particular, permit an integration (in a single multilayer heterostructure) of standard electronic functions of semiconductors with magnetic memory function. Although classical semiconductor materials, such as Si or GaAs, are nonmagnetic, upon substitutional incorporation of magnetic ions (typically of a few atomic percents of Mn 2+ ions) and very heavy doping with conducting carriers (at the level of 10 20 - 10 21 cm -3 ) a ferromagnetic transition can be induced in such diluted magnetic semiconductors (also known as semimagnetic semiconductors). In the lecture the spectacular experimental observations of carrier concentration induced ferromagnetism will be discussed for three model semiconductor crystals. p - Ga 1-x Mn x As currently the most actively studied and most perspective ferromagnetic semiconductor of III-V group, in which ferromagnetism appears due to Mn ions providing both local magnetic moments and acting as acceptor centers. p - Sn 1-x Mn x Te and p - Ge 1-x Mn x Te classical diluted magnetic semiconductors of IV-VI group, in which paramagnet-ferromagnet and ferromagnet-spin glass transitions are found for very high hole concentration. n - Eu 1-x Gd x Te mixed magnetic crystals, in which the substitution of Gd 3+ ions for Eu 2+ ions creates very high electron concentration and transforms antiferromagnetic EuTe (insulating compound) into ferromagnetic n-type semiconductor alloy. For each of these materials systems the key physical features will be discussed concerning: local magnetic moments formation, magnetic phase diagram as a function of magnetic ions and carrier concentration as well as Curie temperature and magnetic anisotropy engineering. Various theoretical models proposed to explain the effect of carrier concentration induced ferromagnetism in semiconductors will be briefly discussed involving mean field approaches based on Zener and RKKY

Magnetic properties of Np2T2Sn compounds

International Nuclear Information System (INIS)

Sanchez, J.P.; Colineau, E.; Jeandey, C.; Oddou, J.L.; Rebizant, J.; Seret, A.; Spirlet, J.C.

1994-01-01

The magnetic properties of the Np 2 T 2 Sn series investigated by 237 Np Moessbauer spectroscopy are reported. Magnetic ordering is shown to occur for T = Ni, Pd, Pt, whereas the Np ions do not carry a local moment when T = Co, Ru, Rh. Comparison is made with the corresponding Np 2 T 2 In and U 2 T 2 Sn compounds. (authors). 5 refs., 3 figs

Synthesis, characterization and thermal decomposition of [Pd2 (C2-dmba (µ-SO4 (SO22

Directory of Open Access Journals (Sweden)

Caires Antonio Carlos Fávero

1998-01-01

Full Text Available The bridged sulphate complex [Pd2 (C²,dmba (µ-SO4 (SO22] has been obtained by reacting a saturated solution of SO2 in methanol and the cyclometallated compound [Pd(C²,N-dmba(µ-N3] 2; (dmba = N,N-dimethylbenzylamine, at room temperature for 24 h. Reaction product was characterized by elemental analysis, NMR comprising 13C{¹H} and ¹H nuclei and I.R. spectrum's measurements. Thermal behavior has been investigated and residual products identified by X-ray powder diffraction.

The Elusive Palladium-Diazo Adduct Captured: Synthesis, Isolation and Structural Characterization of [(ArNHC-PPh2 )Pd(η2 -N2 C(Ph)CO2 Et)].

Science.gov (United States)

Rull, Silvia G; Álvarez, Eleuterio; Fructos, Manuel R; Belderrain, Tomás R; Pérez, Pedro J

2017-06-07

The first example of a diazo palladium adduct is reported. The complexes [(ArNHC-PPh 2 )M(η 2 -N 2 C(Ph)CO 2 Et)] (M=Ni, 3; M=Pd, 4; ArNHC-PPh 2 =3-(2,6-diisopropylphenyl)-1-[(diphenylphosphino)ethyl]imidazol-2-ylidene) were prepared by ligand exchange with styrene-coordinated precursors [(ArNHC-PPh 2 )M(styrene)] (M=Ni, 1; M=Pd, 2). Complex 4 was fully characterized, including X-ray analyses; this constitutes the first example of a diazo adduct compound with palladium, thereby closing the gap between Groups 8 and 10 regarding this type of compounds. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Theoretical investigation on thermoelectric properties of (Ca,Sr,Ba)Fe2(As/Bi)2 compounds under temperature

Science.gov (United States)

Jayalakshmi, D. S.; Sundareswari, M.; Viswanathan, E.; Das, Abhijeet

2018-04-01

The electrical conductivity, resistivity and Seebeck coefficient, Pauli magnetic susceptibility and power factor are computed under temperature (100 K - 800 K) in steps of 100 K for the theoretically designed compounds namely (Ca,Sr,Ba)Fe2Bi2 and their parent compounds namely (Ca,Sr,Ba)Fe2As2 by using Boltzmann transport theory interfaced to the Wien2k program. The Bulk modulus, electron phonon coupling constant, thermoelectric figure of merit (ZT) and transition temperature are calculated for the optimized anti ferromagnetic phase of the proposed compounds. The results are discussed for the novel compounds in view of their superconductivity existence and compared with their parent unconventional superconducting compounds.

First-principles study on half-metallic ferromagnetic properties of Zn{sub 1-x}V{sub x}Se ternary alloys

Energy Technology Data Exchange (ETDEWEB)

Khatta, Swati; Tripathi, S.K.; Prakash, Satya [Panjab University, Central of Advanced Study in Physics, Department of Physics, Chandigarh (India)

2017-09-15

The spin-polarised density functional theory along with self-consistent plane-wave pseudopotential is used to investigate the half-metallic ferromagnetic properties of ternary alloys Zn{sub 1-x}V{sub x}Se. The generalized gradient approximation is used for exchange-correlation potential. The equilibrium lattice constants, bulk modulus, and its derivatives are calculated. The calculated spin-polarised energy-band structures reveal that these alloys are half-metallic for x = 0.375 and 0.50 and nearly half-metallic for other values of x. The estimated direct and indirect bandgaps may be useful for the magneto-optical absorption experiments. It is found that there is strong Zn 4s, Se 4p, and V 3d orbital hybridization in the conduction bands of both the spins, while Se 4p and V 3d orbital hybridization predominates in the valence bands of both the spins. The s, p-d, and p-d orbital hybridization reduces the local magnetic moment of V atoms and small local magnetic moments are produced on Zn and Se atoms which get coupled with V atoms in ferromagnetic and antiferromagnetic phases, respectively. The conduction and valence-band-edge splittings and exchange constants predict the ferromagnetism in these alloys. The conduction band-impurity (s and p-d) exchange interaction is more significant for ferromagnetism in these alloys than the valence band-impurity (p-d) exchange interaction. (orig.)

High spin-polarization in ultrathin Co2MnSi/CoPd multilayers

International Nuclear Information System (INIS)

Galanakis, I.

2015-01-01

Half-metallic Co 2 MnSi finds a broad spectrum of applications in spintronic devices either in the form of thin films or as spacer in multilayers. Using state-of-the-art ab-initio electronic structure calculations we exploit the electronic and magnetic properties of ultrathin Co 2 MnSi/CoPd multilayers. We show that these heterostructures combine high values of spin-polarization at the Co 2 MnSi spacer with the perpendicular magnetic anisotropy of binary compounds such as CoPd. Thus they could find application in spintronic/magnetoelectronic devices. - Highlights: • Ab-initio study of ultrathin Co 2 MnSi/CoPd multilayers. • Large values of spin-polarization at the Fermi are retained. • Route for novel spintronic/magnetoelectronic devices

Electronic and magnetic properties study of neptunium compounds: NpX{sub 3} and Np{sub 2}T{sub 2}X by Moessbauer effect, neutrons diffraction and Squid magnetometry; Etude des proprietes magnetiques et electroniques de composes de neptunium NpX{sub 3} et Np{sub 2}T{sub 2}X par spectrometrie mossbauer, diffraction de neutrons et magnetometrie squid

Energy Technology Data Exchange (ETDEWEB)

Colineau, E.

1996-07-11

This work is a contribution to the study of magnetic and electronic properties of the intermetallic compounds: NpX{sub 3} (X= Al, Ga, In, Sn) and Np{sub 2}T{sub 2}X (T= Co, Ni, Ru, Rh, Pd, Pt; X= In, Sn). These properties have been determined by Moessbauer effect, neutron diffraction and Squid magnetometry. The obtained results for NpX{sub 3} show particularly that NpAl{sub 3} orders in a type II (k= 1/2 1/2 1/2) antiferromagnetic structure at T{sub N} {approx_equal} 37 K. The antiferromagnetic phase NpGa{sub 3} orders in a type II too and the magnetic moments carried by neptunium in the ferromagnetic phase are oriented along the (111) axes. The two NpIN{sub 3} magnetic phases observed by Moessbauer effect (4.2 K-10 K and 10 K- 14 K) are identified by neutron diffraction as ferromagnetic and antiferromagnetic (k= 3/8 3/8 3/8). In this last phase the moments are oriented along the (111) axes. The magnetization measures on monocrystals show a weak anisotropy with (111) at all the temperatures and reveal the presence of a third magnetic phase between 8.2 and 10 K. At last, the fundamental state of the compounds NpAl{sub 3}, NpGa{sub 3} and NpIn{sub 3} is attributed to the {Gamma}{sub 5} crystal field and the strong reduction of the ordered moment in NpSn{sub 3} to a Kondo effect. Concerning the Np{sub 2}T{sub 2}X compounds, the Moessbauer effect measures have revealed that eight of these compounds order and three do not order. (O.M.). 239 refs.

Pressure induced magneto-structural phase transitions in layered RMn2X2 compounds (invited)

International Nuclear Information System (INIS)

Kennedy, Shane; Wang, Jianli; Campbell, Stewart; Hofmann, Michael; Dou, Shixue

2014-01-01

We have studied a range of pseudo-ternaries derived from the parent compound PrMn 2 Ge 2 , substituting for each constituent element with a smaller one to contract the lattice. This enables us to observe the magneto-elastic transitions that occur as the Mn-Mn nearest neighbour distance is reduced and to assess the role of Pr on the magnetism. Here, we report on the PrMn 2 Ge 2−x Si x , Pr 1−x Y x Mn 2 Ge 2 , and PrMn 2−x Fe x Ge 2 systems. The pressure produced by chemical substitution in these pseudo-ternaries is inherently non-uniform, with local pressure variations dependent on the local atomic distribution. We find that concentrated chemical substitution on the R or X site (e.g., in Pr 0.5 Y 0.5 Mn 2 Ge 2 and PrMn 2 Ge 0.8 Si 1.2 ) can produce a separation into two distinct magnetic phases, canted ferromagnetic and canted antiferromagnetic, with a commensurate phase gap in the crystalline lattice. This phase gap is a consequence of the combination of phase separation and spontaneous magnetostriction, which is positive on transition to the canted ferromagnetic phase and negative on transition to the canted antiferromagnetic phase. Our results show that co-existence of canted ferromagnetic and antiferromagnetic phases depends on chemical pressure from the rare earth and metalloid sites, on local lattice strain distributions and on applied magnetic field. We demonstrate that the effects of chemical pressure bear close resemblance to those of mechanical pressure on the parent compound

Thermochemical investigations on intermetallic UMe3 compounds (Me=Ru,Rh,Pd)

International Nuclear Information System (INIS)

Wijbenga, G.

1981-10-01

The subject of this thesis is the determination of the thermodynamic properties of the intermetallic compounds of uranium with the light platinum metals, ruthenium, rhodium and palladium. These intermetallics are formed as very stable compounds during fission in nuclear fuel by the reaction of the fission products Ru, Rh and Pd with the matrix. Methods for the preparation of URu 3 , URh 3 and UPd 3 , experiments showing the chemical reactivities of these compounds, and studies of the stoichiometry of hexagonal UPd 3 by X-ray diffraction of solubility experiments of UN and palladium in UPd 3 , are described. Thermodynamic properties of the UMe 3 compounds have been obtained using several experimental thermodynamic techniques: fluorine bomb calorimetry, low-temperature cryogenic calorimetry, high-temperature drop calorimetry and EMF measurements of reversible cells. (Auth.)

High spin-polarization in ultrathin Co2MnSi/CoPd multilayers

Science.gov (United States)

Galanakis, I.

2015-03-01

Half-metallic Co2MnSi finds a broad spectrum of applications in spintronic devices either in the form of thin films or as spacer in multilayers. Using state-of-the-art ab-initio electronic structure calculations we exploit the electronic and magnetic properties of ultrathin Co2MnSi/CoPd multilayers. We show that these heterostructures combine high values of spin-polarization at the Co2MnSi spacer with the perpendicular magnetic anisotropy of binary compounds such as CoPd. Thus they could find application in spintronic/magnetoelectronic devices.

Magnetism and transport studies in off-stoichiometric metallic perovskite compounds GdPd{sub 3}B{sub x} (x=0.25, 0.50 and 0.75)

Energy Technology Data Exchange (ETDEWEB)

Pandey, Abhishek, E-mail: abhishek.phy@gmail.co [S. N. Bose National Centre for Basic Sciences, Block-JD, Sector-III, Salt Lake, Kolkata 700098 (India); Experimental Condensed Matter Physics Division, Saha Institute of Nuclear Physics, 1/AF, Bidhannagar, Kolkata 700064 (India); Mazumdar, Chandan, E-mail: chandan.mazumdar@saha.ac.i [Experimental Condensed Matter Physics Division, Saha Institute of Nuclear Physics, 1/AF, Bidhannagar, Kolkata 700064 (India); Ranganathan, R. [Experimental Condensed Matter Physics Division, Saha Institute of Nuclear Physics, 1/AF, Bidhannagar, Kolkata 700064 (India)

2010-12-15

We report the magnetic and transport properties of the off-stoichiometric metallic perovskite like compounds GdPd{sub 3}B{sub x} (x=0.25, 0.50 and 0.75). Our results show that doping with boron in the lattice of parent binary-compound GdPd{sub 3} leads to lattice expansion. Which in turn manifests in contrasting magnetic and transport behaviors of the doped compounds in comparison with the undoped GdPd{sub 3}. An attempt has been made to compare and correlate the results of magnetic and transport measurements of GdPd{sub 3}B{sub x} with that of stoichiometric compositions GdPd{sub 3}B{sub x}C{sub 1-x}. The comparative study of GdPd{sub 3}B{sub x} and GdPd{sub 3}B{sub x}C{sub 1-x} confirms that there is a strong correlations between the structural, magnetic and transport properties of these compounds.

Ising-like spin anisotropy and competing antiferromagnetic-ferromagnetic orders in GdBaCo2O5.5 single crystals.

Science.gov (United States)

Taskin, A A; Lavrov, A N; Ando, Yoichi

2003-06-06

In RBaCo2O5+x compounds (R is rare earth), a ferromagnetic-antiferromagnetic competition is accompanied by a giant magnetoresistance. We study the magnetization of detwinned GdBaCo2O5.5 single crystals and find a remarkable uniaxial anisotropy of Co3+ spins which is tightly linked with the chain oxygen ordering in GdO0.5 planes. Reflecting the underlying oxygen order, CoO2 planes also develop a spin-state order consisting of Co3+ ions in alternating rows of S=1 and S=0 states. The magnetic structure appears to be composed of weakly coupled ferromagnetic ladders with Ising-like moments, which gives a simple picture for magnetotransport phenomena.

Physical properties of the GaPd2 intermetallic catalyst in bulk and nanoparticle morphology

DEFF Research Database (Denmark)

Wencka, M.; Schwerin, J.; Klanjšek, M.

2015-01-01

Intermetallic compound GaPd2 is a highly selective catalyst material for the semi-hydrogenation of acetylene. We have determined anisotropic electronic, thermal and magnetic properties of a GaPd2 monocrystal along three orthogonal orthorhombic directions of the structure. By using 69Ga and 71Ga NMR...... properties of the GaPd2 phase on going from the bulk material to the nanoparticles morphology, we have synthesized GaPd2/SiO2 supported nanoparticles and determined their electronic DOS at εF from the 71Ga NMR spin-lattice relaxation rate. The electronic DOS of the GaPd2 was also studied theoretically from...... spectroscopy, we have determined the electric-field-gradient tensor at the Ga site in the unit cell and the Knight shift, which yields the electronic density of states (DOS) at the Fermi energy εF. The DOS at εF was determined independently also from the specific heat. To see the change of electronic...

Pressure-induced weak ferromagnetism in uranium dioxide, UO2

International Nuclear Information System (INIS)

Sakai, H; Kato, H; Tokunaga, Y; Kambe, S; Walstedt, R E; Nakamura, A; Tateiwa, N; Kobayashi, T C

2003-01-01

The dc magnetization of insulating UO 2 under high pressure up to ∼1 GPa has been measured using a piston-cylinder cell. Pressure-induced weak ferromagnetism appeared at low pressure (∼0.2 GPa). Both the remanent magnetization and the coercive force increase as pressure increases. This weak ferromagnetism may come from spin canting or from uncompensated moments around grain boundaries

Ti{sub 3}CrCu{sub 4}: A possible 2-D ferromagnetic spin fluctuating system

Energy Technology Data Exchange (ETDEWEB)

Dhar, S. K.; Kulkarni, R.; Goyal, Neeraj [Department of Condensed Matter Physics & Materials Science, T.I.F.R., Homi Bhabha Road, Colaba, Mumbai, 400005 (India); Provino, A.; Manfrinetti, P. [Department of Chemistry, University of Genova, Via Dodecaneso 31, 16146 Genova (Italy); Paudyal, D. [The Ames Laboratory, US Department of Energy, Iowa State University, Ames, IA 50011-3020 (United States)

2016-05-15

Ti{sub 3}CrCu{sub 4} is a new ternary compound which crystallizes in the tetragonal Ti{sub 3}Pd{sub 5} structure type. The Cr atoms form square nets in the a-b plane (a = 3.124 Å) which are separated by an unusually large distance c = 11.228 Å along the tetragonal axis, thus forming a -2-D Cr-sublattice. The paramagnetic susceptibility is characterized by a low effective moment, μ{sub eff} = 1.1 μ{sub B}, a low paramagnetic Curie temperature θ{sub P} (below 7 K) and a temperature independent χ{sub 0} = 6.7 x 10{sup −4} emu/mol. The magnetization at 1.8 K increases rapidly with field nearly saturating to 0.2 μ{sub B}/f.u. The zero field heat capacity C/T shows an upturn below 7 K (∼190 mJ/mol K{sup 2} at ∼0.1K) which is suppressed in applied magnetic fields and interpreted as suggesting the presence of spin fluctuations. The resistivity at low temperatures shows non-Fermi liquid behavior. Overall, the experimental data thus reveal an unusual magnetic state in Ti{sub 3}CrCu{sub 4}, which likely has its origin in the layered nature of the Cr sub-lattice and ferromagnetic spin fluctuations. Density functional theoretical calculations reveal a sharp Cr density of states peak just above the Fermi level, indicating the propensity of Ti{sub 3}CrCu{sub 4} to become magnetic.

Structural and magnetic properties of granular CoPd multilayers

Science.gov (United States)

Vivas, L. G.; Figueroa, A. I.; Bartolomé, F.; Rubín, J.; García, L. M.; Deranlot, C.; Petroff, F.; Ruiz, L.; González-Calbet, J. M.; Brookes, N. B.; Wilhelm, F.; Rogalev, A.; Bartolomé, J.

2016-02-01

Multilayers of bimetallic CoPd alloyed and assembled nanoparticles, prepared by room temperature sequential sputtering deposition on amorphous alumina, were studied by means of high-resolution transmission electron microscopy, x-ray diffraction, SQUID-based magnetometry and x-ray magnetic circular dichroism. Alloying between Co and Pd in these nanoparticles gives rise to a high perpendicular magnetic anisotropy. Their magnetic properties are temperature dependent: at low temperature, the multilayers are ferromagnetic with a high coercive field; at intermediate temperature the behavior is of a soft-ferromagnet, and at higher temperature, the perpendicular magnetic anisotropy in the nanoparticles disappears. The magnetic orbital moment to spin moment ratio is enhanced compared with Co bare nanoparticles and Co fcc bulk.

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.

Catalytic Hydrodechlorination of Trichlorobenzenes with Pd(PhenCl2 as Catalyst Precursor

Directory of Open Access Journals (Sweden)

Guanlin Zhang

2015-01-01

Full Text Available We reported the catalytic hydrodechlorination (HDC of trichlorobenzenes by an organometallic compound Pd(PhenCl2 as a catalyst precursor. The catalyst precursor was prepared by chemical coordination reaction and characterized by FTIR and 1H NMR techniques. The HDC performance of Pd(PhenCl2 as catalyst precursor was evaluated on 1,2,3-, 1,2,4-, and 1,3,5-trichlorobenzenes (TCBs. All TCBs could be converted to dechlorination products with high conversion. Products distribution was closely related with the substrate structures and C-Cl bond energies. A reasonable reaction mechanism was also proposed.

Magnetic properties of FeZr{sub 2} and Fe{sub 2}Zr intermetallic compounds

Energy Technology Data Exchange (ETDEWEB)

Prajapat, C. L., E-mail: prajapat@barc.gov.in; Singh, M. R.; Mishra, P. K. [Technical Physics Division, Bhabha Atomic Research Centre, Mumbai, INDIA-400085 (India); Chattaraj, D. [Product Development Division, Bhabha Atomic Research Centre, Mumbai, INDIA-400085 (India); Mishra, R. [Chemistry Division, Bhabha Atomic Research Centre, Mumbai, INDIA-400085 (India); Ravikumar, G. [Scientific Information Resources Division, Bhabha Atomic Research Centre, Mumbai, INDIA-400085 (India)

2016-05-23

Magnetic properties of Fe-Zr system, viz., FeZr{sub 2} and Fe{sub 2}Zr have been studied. Both the compounds show soft ferromagnetic behavior. Curie temperature is well above the room temperature. Lower saturation magnetization for the zirconium rich sample, FeZr{sub 2}, could be due to possible donation of electrons from the Zr-rich neighbors to Fe atoms or diminution of long range magnetic order by defects.

Onset of itinerant ferromagnetism associated with semiconductor ...

Indian Academy of Sciences (India)

In this paper, the magnetic and transport properties of the TiNb1−CoSn solid solution compounds with half Heusler cubic MgAgAs-type structure have been studied. This work shows the onset of ferromagnetism associated with a semiconductor to metal transition. The transition occurs directly from ferromagnetic metal to ...

Valence band electronic structure of Pd based ternary chalcogenide superconductors

Energy Technology Data Exchange (ETDEWEB)

Lohani, H. [Institute of Physics, Sachivalaya Marg, Bhubaneswar 751005 (India); Homi Bhabha National Institute, Training School Complex, Anushakti Nagar, Mumbai 400085 (India); Mishra, P. [Institute of Physics, Sachivalaya Marg, Bhubaneswar 751005 (India); Goyal, R.; Awana, V.P.S. [National Physical Laboratory(CSIR), Dr. K. S. Krishnan Road, New Delhi 110012 (India); Sekhar, B.R., E-mail: sekhar@iopb.res.in [Institute of Physics, Sachivalaya Marg, Bhubaneswar 751005 (India); Homi Bhabha National Institute, Training School Complex, Anushakti Nagar, Mumbai 400085 (India)

2016-12-15

Highlights: • VB Photoemission study and DFT calculations on Pd based ternary superconductors are presented. • Nb{sub 2}Pd{sub 0.95}S{sub 5} shows a temperature dependent pseudogap. • VB spectral features of ternary superconductors are correlated to their structural geometry. - Abstract: We present a comparative study of the valence band electronic structure of Pd based ternary chalcogenide superconductors Nb{sub 2}Pd{sub 0.95}S{sub 5}, Ta{sub 2}Pd{sub 0.97}S{sub 6} and Ta{sub 2}Pd{sub 0.97}Te{sub 6} using experimental photoemission spectroscopy and density functional based theoretical calculations. We observe a qualitatively similarity between valence band (VB) spectra of Nb{sub 2}Pd{sub 0.95}S{sub 5} and Ta{sub 2}Pd{sub 0.97}S{sub 6}. Further, we find a pseudogap feature in Nb{sub 2}Pd{sub 0.95}S{sub 5} at low temperature, unlike other two compounds. We have correlated the structural geometry with the differences in VB spectra of these compounds. The different atomic packing in these compounds could vary the strength of inter-orbital hybridization among various atoms which leads to difference in their electronic structure as clearly observed in our DOS calculations.

Magnetic properties of Pr1-xGdxMn2Ge2 compounds

International Nuclear Information System (INIS)

Kilic, A.; Kervan, S.; Oezcan, S.; Gencer, A.

2004-01-01

The structure and magnetic properties of the Pr 1-x Gd x Mn 2 Ge 2 (0.0≤x≤1.0) compounds have been investigated by means of X-ray diffraction (XRD), differential scanning calorimetry (DSC) techniques and AC magnetic susceptibility measurements. All compounds crystallize in the ThCr 2 Si 2 -type structure with the space group I4/mmm. The lattice constants and the unit cell volume obey Vegard's law. Samples in this alloy system exhibit a crossover from ferromagnetic ordering for PrMn 2 Ge 2 to antiferromagnetic ordering for GdMn 2 Ge 2 as a function of Gd concentration x. At low temperatures, the rare earth sublattice also orders and reconfigures the ordering in the Mn sublattice. The results are summarized in the x-T magnetic phase diagram

Magnetic behaviour of a new compound, Eu{sub 2}CuSi{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Majumdar, Subham; Mallik, R; Sampathkumaran, E V [Tata Institute of Fundamental Research, Mumbai (India)

1999-07-01

As a part of our program to synthesize new ternary Eu compounds, we report here the formation of Eu{sub 2}CuSi{sub 3} for the first time and its magnetic behaviour by magnetic susceptibility, electrical-resistivity and heat-capacity measurements. This compound is found to crystallize in an AlB{sub 2}-derived hexagonal structure. The results establish that Eu ions are divalent, undergoing long-range ferromagnetic-ordering below 38 K. (author)

Unexpected large room-temperature ferromagnetism in porous Cu{sub 2}O thin films

Energy Technology Data Exchange (ETDEWEB)

Hou, Xue [College of Physics Science & Information Engineering, Hebei Normal University, Shijiazhuang 050024 (China); Key Laboratory of Advanced Films of Hebei Province, Shijiazhuang 050024 (China); Sun, Huiyuan, E-mail: huiyuansun@126.com [College of Physics Science & Information Engineering, Hebei Normal University, Shijiazhuang 050024 (China); Key Laboratory of Advanced Films of Hebei Province, Shijiazhuang 050024 (China); Liu, Lihu; Jia, Xiaoxuan; Liu, Huiyuan [College of Physics Science & Information Engineering, Hebei Normal University, Shijiazhuang 050024 (China); Key Laboratory of Advanced Films of Hebei Province, Shijiazhuang 050024 (China)

2015-05-15

Porous Cu{sub 2}O films have been fabricated on porous anodic alumina substrates using DC-reactive magnetron sputtering with pure Cu targets, and unexpectedly large room temperature ferromagnetism has been observed in the films. The maximum saturation magnetic moment along the out-of-plane direction was as high as 94 emu/cm{sup 3}. Photoluminescence spectra show that the ferromagnetism originates with oxygen vacancies. The ferromagnetism could be adjusted by changing the concentration of oxygen vacancies through annealing in an oxygen atmosphere. These observations suggest that the origin of the ferromagnetism is due to coupling between oxygen vacancies with local magnetic moments in the porous Cu{sub 2}O films, which can occur either directly through exchange interactions between oxygen vacancies, or through the mediation of conduction electrons. Such a ferromagnet without the presence of any ferromagnetic dopant may find applications in spintronic devices. - Highlights: • Porous Cu{sub 2}O films were deposited on porous anodic alumina (PAA) substrates. • Significant room-temperature ferromagnetism has been observed in porous Cu{sub 2}O films. • Ferromagnetism of Cu{sub 2}O films exhibited different magnetic signals with the field. • The saturation magnetization is 94 emu/cm{sup 3} with an out-of-plane.

First-principles calculations of GaN:Gd nanowires: Carbon-dopants-induced room-temperature ferromagnetism

Directory of Open Access Journals (Sweden)

Ruikuan Xie

2017-11-01

Full Text Available First-principle calculations of the electronic structure and magnetic interaction of C-Gd co-doped GaN nanowires have been performed. The room-temperature ferromagnetism in GaN:Gd nanowires is observed after the substitution of N atoms by C atoms. A p-d coupling is considered as the reason of the observed ferromagnetism. The striking feature is that such coupling is effected greatly by the position where the C atoms dope in. As the C-Gd distance increases this coupling decreases and the system won’t gain enough energy to stabilize the ferromagnetism.

Determination of the equilibrium miscibility gap in the Pd-Rh alloy system using metal nanopowders obtained by decomposition of coordination compounds

Energy Technology Data Exchange (ETDEWEB)

Shubin, Yu.V., E-mail: shubin@niic.nsc.ru; Plyusnin, P.E.; Korenev, S.V.

2015-02-15

Highlights: • The Pd-Rh phase diagram has been experimentally reinvestigated. • The true equilibrium was achieved with the two-way approach. • The critical point of the miscibility gap lie at 58 at.% Rh and 820 °C. - Abstract: The Pd-Rh phase diagram has been reinvestigated in the subsolidus region using X-ray diffraction, scanning and transmission electron microscopy. The true equilibrium at the miscibility boundary was achieved with the two-way approach. Nanosized powders of metastable solid solutions and two-phase palladium-rhodium mixtures were used to shorten the time required to equilibrate the system. The initial samples were prepared by decomposition of coordination compounds [Pd(NH{sub 3}){sub 2}Cl{sub 2}], [Rh(NH{sub 3}){sub 5}Cl]Cl{sub 2}, [Pd(NH{sub 3}){sub 4}]{sub 3}[Rh(NO{sub 2}){sub 6}]{sub 2} and [Pd(NH{sub 3}){sub 4}][Rh(NH{sub 3})(NO{sub 2}){sub 5}]. The obtained phase diagram exhibits miscibility gap wider than generally accepted with the critical point of solubility at 58 at.% Rh and 820 °C.

Magnetic structure of the magnetocaloric compound AlFe{sub 2}B{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Cedervall, Johan, E-mail: johan.cedervall@kemi.uu.se [Department of Chemistry – Ångström Laboratory, Uppsala University, Box 538, 751 21 Uppsala (Sweden); Andersson, Mikael Svante; Sarkar, Tapati [Department of Engineering Sciences, Uppsala University, Box 534, 751 21 Uppsala (Sweden); Delczeg-Czirjak, Erna K. [Department of Physics and Astronomy, Uppsala University, Box 516, 751 20 Uppsala (Sweden); Bergqvist, Lars [Department of Materials and Nano Physics and Swedish e-Science Research Centre (SeRC), Royal Institute of Technology (KTH), Electrum 229, SE-164 40 Kista (Sweden); Hansen, Thomas C. [Institut Laue-Langevin, B.P. 156, Grenoble Cedex 9, 38042 France (France); Beran, Premysl [Nuclear Physics Institute, Academy of Sciences of the Czech Republic, Rez, 25068 Czech Republic (Czech Republic); Nordblad, Per [Department of Engineering Sciences, Uppsala University, Box 534, 751 21 Uppsala (Sweden); Sahlberg, Martin [Department of Chemistry – Ångström Laboratory, Uppsala University, Box 538, 751 21 Uppsala (Sweden)

2016-04-15

The crystal and magnetic structures of AlFe{sub 2}B{sub 2} have been studied with a combination of X-ray and neutron diffraction and electronic structure calculations. The magnetic and magnetocaloric properties have been investigated by magnetisation measurements. The samples have been produced using high temperature synthesis and subsequent heat treatments. The compound crystallises in the orthorhombic crystal system Cmmm and it orders ferromagnetically at 285 K through a second order phase transition. At temperatures below the magnetic transition the magnetic moments align along the crystallographic a-axis. The magnetic entropy change from 0 to 800 kA/m was found to be −1.3 J/K kg at the magnetic transition temperature. - Graphical abstract: The magnetic structure of AlFe{sub 2}B{sub 2} has been investigated using neutron diffraction and the magnetic spins have been found to align ferromagnetically along the crystallographic a-axis. - Highlights: • The crystal and magnetic structures of AlFe{sub 2}B{sub 2} have been studied. • Orders ferromagnetically at 285 K via a second order phase transition. • The magnetic moments are found to be aligned along the crystallographic a-axis. • The magnetic entropy change from 0 to 800 kA/m was found to be −1.3 J/K kg.

High spin-polarization in ultrathin Co{sub 2}MnSi/CoPd multilayers

Energy Technology Data Exchange (ETDEWEB)

Galanakis, I., E-mail: galanakis@upatras.gr

2015-03-01

Half-metallic Co{sub 2}MnSi finds a broad spectrum of applications in spintronic devices either in the form of thin films or as spacer in multilayers. Using state-of-the-art ab-initio electronic structure calculations we exploit the electronic and magnetic properties of ultrathin Co{sub 2}MnSi/CoPd multilayers. We show that these heterostructures combine high values of spin-polarization at the Co{sub 2}MnSi spacer with the perpendicular magnetic anisotropy of binary compounds such as CoPd. Thus they could find application in spintronic/magnetoelectronic devices. - Highlights: • Ab-initio study of ultrathin Co{sub 2}MnSi/CoPd multilayers. • Large values of spin-polarization at the Fermi are retained. • Route for novel spintronic/magnetoelectronic devices.

Enhancement in the Catalytic Activity of Pd/USY in the Heck Reaction Induced by H2 Bubbling

Directory of Open Access Journals (Sweden)

Miki Niwa

2010-12-01

Full Text Available Pd was loaded on ultra stable Y (USY zeolites prepared by steaming NH4-Y zeolite under different conditions. Heck reactions were carried out over the prepared Pd/USY. We found that H2 bubbling was effective in improving not only the catalytic activity of Pd/USY, but also that of other supported Pd catalysts and Pd(OAc2. Moreover, the catalytic activity of Pd/USY could be optimized by choosing appropriate steaming conditions for the preparation of the USY zeolites; Pd loaded on USY prepared at 873 K with 100% H2O gave the highest activity (TOF = 61,000 h−1, which was higher than that of Pd loaded on other kinds of supports. The prepared Pd/USY catalysts were applicable to the Heck reactions using various kinds of substrates including bromo- and chloro-substituted aromatic and heteroaromatic compounds. Characterization of the acid properties of the USY zeolites revealed that the strong acid site (OHstrong generated as a result of steaming had a profound effect on the catalytic activity of Pd.

Larmor diffraction in the ferromagnetic superconductor UGe{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Ritz, Robert; Pfleiderer, Christian [Physik Department E21, TU Muenchen, D-85748 Garching (Germany); Sokolov, Dmitry; Huxley, Andrew [School of Physics and Astronomy, Centre for Science at Extreme Conditions, University of Edinburgh, Edinburgh EH9 3JZ (United Kingdom); Keller, Thomas [MPI fuer Festkoerperforschung, Heisenbergstr. 1, D-70569 Stuttgart (Germany)

2010-07-01

Larmor Diffaction (LD) is a neutron resonance spin-echo technique which allows the study of the lattice constant as well the distribution of lattice constants. It was traditionally thought that neutron spin-echo measurements cannot be used in materials such as superconductors or ferromagnets, because they strongly depolarize a polarized neutron beam. In UGe{sub 2} we are able to demonstrate that this technique may be applied in ferromagnetic superconductors with a magnetic Ising anisotropy. UGe{sub 2} exhibits two ferromagnetic phases which are separated by a transition at temperature T{sub x}. With increasing hydrostatic pressure superconductivity emerges at the pressure for which T{sub x} is suppressed. Using LD we studied the temperature dependence of the lattice constant as well as the distribution of lattice constants for all three axis of UGe{sub 2} down to 0.5 K and at pressures up to 12 kbar.

Itinerant ferromagnetism in the As 4p conduction band of Ba_{0.6}K_{0.4}Mn_{2}As_{2} identified by X-ray magnetic circular dichroism.

Science.gov (United States)

Ueland, B G; Pandey, Abhishek; Lee, Y; Sapkota, A; Choi, Y; Haskel, D; Rosenberg, R A; Lang, J C; Harmon, B N; Johnston, D C; Kreyssig, A; Goldman, A I

2015-05-29

X-ray magnetic circular dichroism (XMCD) measurements on single-crystal and powder samples of Ba_{0.6}K_{0.4}Mn_{2}As_{2} show that the ferromagnetism below T_{C}≈100  K arises in the As 4p conduction band. No XMCD signal is observed at the Mn x-ray absorption edges. Below T_{C}, however, a clear XMCD signal is found at the As K edge which increases with decreasing temperature. The XMCD signal is absent in data taken with the beam directed parallel to the crystallographic c axis indicating that the orbital magnetic moment lies in the basal plane of the tetragonal lattice. These results show that the previously reported itinerant ferromagnetism is associated with the As 4p conduction band and that distinct local-moment antiferromagnetism and itinerant ferromagnetism with perpendicular easy axes coexist in this compound at low temperature.

Investigation of electronic structure and chemical bonding of intermetallic Pd2HfIn: An ab-initio study

Science.gov (United States)

Bano, Amreen; Gaur, N. K.

2018-05-01

Ab-initio calculations are carried out to study the electronic and chemical bonding properties of Intermetallic full Heusler compound Pd2HfIn which crystallizes in F-43m structure. All calculations are performed by using density functional theory (DFT) based code Quantum Espresso. Generalized gradient approximations (GGA) of Perdew- Burke- Ernzerhof (PBE) have been adopted for exchange-correlation potential. Calculated electronic band structure reveals the metallic character of the compound. From partial density of states (PDoS), we found the presence of relatively high intensity electronic states of 4d-Pd atom at Fermi level. We have found a pseudo-gap just abouve the Fermi level and N(E) at Fermi level is observed to be 0.8 states/eV, these finding indicates the existence of superconducting character in Pd2HfIn.

Larmor diffraction studies on the ferromagnetic superconductor UGe{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Ritz, Robert; Pfleiderer, Christian [Physik Department E21, TU Muenchen, Garching (Germany); Sokolov, Dmitry; Huxley, Andrew D. [School of Physics and Astronomy, and Centre for Science at Extreme Conditions, The University of Edinburgh (United Kingdom); Keller, Thomas [MPI fuer Festkoerperforschung, Stuttgart (Germany)

2011-07-01

Larmor diffraction (LD) is a novel technique based on the Larmor precession of polarized neutrons that surpasses the resolution of conventional scattering methods by two orders of magnitude. For a long time it was thought that it is not possible to measure LD on systems with depolarizing properties, such as ferromagnets. We present thermal expansion measurements under pressure by means of Larmor diffraction (LD) on the superconducting Ising ferromagnet UGe{sub 2}. LD allowed us to measure magnetization and thermal expansion under pressure in the same setup and hence to directly compare transition temperatures. We found that the thermal expansion near T{sub X}, the transition between two ferromagnetic phases which is believed to drive superconductivity, shows a clear transition in the b- and c-axis under pressure at a temperature a few K higher than for the a-axis and the ferromagnetic Bragg peak. We are considering different mechanisms how this may be connected with the superconductivity in UGe{sub 2}.

Room temperature ferromagnetism in Fe-doped CeO2 nanoparticles.

Science.gov (United States)

Maensiri, Santi; Phokha, Sumalin; Laokul, Paveena; Seraphin, Supapan

2009-11-01

RT ferromagnetism was observed in nanoparticles of Fe-doped CeO2 (i.e., Ce(0.97)Fe(0.03)O2) synthesized by a sol-gel method. The undoped and Fe-doped CeO2 were characterized by XRD, Raman spectroscopy, TEM, and VSM. The undoped samples and Ce(0.97)Fe(0.03)O2 precursor exhibit a diamagnetic behavior. The 673 K-calcined Ce(0.97)Fe(0.03)O2 sample is paramagnetic whereas 773 and 873 K-calcined Ce(0.97)Fe(0.03)O2 samples are ferromagnetism having the magnetizations of 4.65 x 10(-3) emu/g and 6.20 x 10(-3) emu/g at 10 kOe, respectively. Our results indicate that the ferromagnetic property is intrinsic to the Fe-doped CeO2 system and is not a result of any secondary magnetic phase or cluster formation.

Critical behaviors of half-metallic ferromagnet Co3Sn2S2

OpenAIRE

Yan, Weinian; Zhang, Xiao; Shi, Qi; Yu, Xiaoyun; Zhang, Zhiqing; Wang, Qi; Li, Si; Lei, Hechang

2018-01-01

We have investigated the critical behavior of a shandite-type half-metal ferromagnet Co3Sn2S2. It exhibits a second-order paramagnetic-ferromagnetic phase transition with TC = 174 K. To investigate the nature of the magnetic phase transition, a detailed critical exponent study has been performed. The critical components beta, gamma, and delta determined using the modified Arrott plot, the Kouvel-Fisher method as well as the critical isotherm analysis are match reasonably well and follow the s...

Fermiology and Superconductivity of Topological Surface States in PdTe2

Science.gov (United States)

Clark, O. J.; Neat, M. J.; Okawa, K.; Bawden, L.; Marković, I.; Mazzola, F.; Feng, J.; Sunko, V.; Riley, J. M.; Meevasana, W.; Fujii, J.; Vobornik, I.; Kim, T. K.; Hoesch, M.; Sasagawa, T.; Wahl, P.; Bahramy, M. S.; King, P. D. C.

2018-04-01

We study the low-energy surface electronic structure of the transition-metal dichalcogenide superconductor PdTe2 by spin- and angle-resolved photoemission, scanning tunneling microscopy, and density-functional theory-based supercell calculations. Comparing PdTe2 with its sister compound PtSe2 , we demonstrate how enhanced interlayer hopping in the Te-based material drives a band inversion within the antibonding p -orbital manifold well above the Fermi level. We show how this mediates spin-polarized topological surface states which form rich multivalley Fermi surfaces with complex spin textures. Scanning tunneling spectroscopy reveals type-II superconductivity at the surface, and moreover shows no evidence for an unconventional component of its superconducting order parameter, despite the presence of topological surface states.

Study of antiferro – ferromagnetic phase coexistence in Ta doped HfFe{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Bag, Pallab, E-mail: pallab@csr.res.in [UGC-DAE Consortium for Scientific Research, University Campus, Khandwa Road, Indore 452001, MP (India); Singh, Sanjay [Saha Institute of Nuclear Physics, 1/AF Bidhan Nagar, Kolkata 700064 (India); Babu, P.D.; Siruguri, Vasudeva [UGC-DAE Consortium for Scientific Research, Mumbai Centre, R-5 Shed, BARC, Mumbai 400085 (India); Rawat, Rajeev [UGC-DAE Consortium for Scientific Research, University Campus, Khandwa Road, Indore 452001, MP (India)

2014-09-01

First order antiferromagnetic (AFM) to ferromagnetic (FM) transition in Hf{sub 1−x}Ta{sub x}Fe{sub 2} with x∼0.225 compounds was studied by resistivity, magnetization and X-ray diffraction (XRD) measurements at low temperature. Magnetization measurements as a function of temperature and magnetic field show path dependent FM phase fraction at 5 K for x=0.225. XRD measurements at 15 K show co-existing AFM and FM phases for this composition with ∼0.9% unit cell volume difference of FM and AFM phase.

Thorium-d-metals compounds and solid solutions

International Nuclear Information System (INIS)

Chachkhiani, Z.B.; Chechernikov, V.I.; Chachkhiani, L.G.

1986-01-01

Thorium compounds with Fe, Co, Ni dependence of their magnetic properties on temperature, pressure and concentration of the second element are considered. Anomalous magnetic behaviour of alloys in the Th-Fe system is noted. Special attention is paid to compounds with CaCu 5 type hexagonal structure and their solid solutions. Th-Co-Ni specimens containing up to 25% Ni are ferromagnetics and the rest are paramagnetics. Specimens with 60% cobalt content do not display ferromagnetic properties up to 4.2 K. Hydrides of Th 7 M 3 H 30 type (M - Fe, Co, Ni) are also considered. Highly hydrogenized specimens (under high pressure) appear to be stronger ferromagnetics

Strong room-temperature ferromagnetism in VSe2 monolayers on van der Waals substrates

Science.gov (United States)

Bonilla, Manuel; Kolekar, Sadhu; Ma, Yujing; Diaz, Horacio Coy; Kalappattil, Vijaysankar; Das, Raja; Eggers, Tatiana; Gutierrez, Humberto R.; Phan, Manh-Huong; Batzill, Matthias

2018-04-01

Reduced dimensionality and interlayer coupling in van der Waals materials gives rise to fundamentally different electronic1, optical2 and many-body quantum3-5 properties in monolayers compared with the bulk. This layer-dependence permits the discovery of novel material properties in the monolayer regime. Ferromagnetic order in two-dimensional materials is a coveted property that would allow fundamental studies of spin behaviour in low dimensions and enable new spintronics applications6-8. Recent studies have shown that for the bulk-ferromagnetic layered materials CrI3 (ref. 9) and Cr2Ge2Te6 (ref. 10), ferromagnetic order is maintained down to the ultrathin limit at low temperatures. Contrary to these observations, we report the emergence of strong ferromagnetic ordering for monolayer VSe2, a material that is paramagnetic in the bulk11,12. Importantly, the ferromagnetic ordering with a large magnetic moment persists to above room temperature, making VSe2 an attractive material for van der Waals spintronics applications.

`Pd20Sn13' revisited: crystal structure of Pd6.69Sn4.31

Directory of Open Access Journals (Sweden)

Wilhelm Klein

2015-07-01

Full Text Available The crystal structure of the title compound was previously reported with composition `Pd20Sn13' [Sarah et al. (1981. Z. Metallkd, 72, 517–520]. For the original structure model, as determined from powder X-ray data, atomic coordinates from the isostructural compound Ni13Ga3Ge6 were transferred. The present structure determination, resulting in a composition Pd6.69Sn4.31, is based on single crystal X-ray data and includes anisotropic displacement parameters for all atoms as well as standard uncertainties for the atomic coordinates, leading to higher precision and accuracy for the structure model. Single crystals of the title compound were obtained via a solid-state reaction route, starting from the elements. The crystal structure can be derived from the AlB2 type of structure after removing one eighth of the atoms at the boron positions and shifting adjacent atoms in the same layer in the direction of the voids. One atomic site is partially occupied by both elements with a Pd:Sn ratio of 0.38 (3:0.62 (3. One Sn and three Pd atoms are located on special positions with site symmetry 2. (Wyckoff letter 3a and 3b.

Magnetic excitations in transition-metal ferromagnets

International Nuclear Information System (INIS)

Uemura, Y.J.

1984-01-01

A review is given on current neutron scattering experiments at Brookhaven National Laboratory on transition-metal ferromagnets Ni, Fe, Pd 2 MnSn and MnSi. The scattering intensity in constant-energy scans, observed above T/sub c/ in all of these materials, exhibited a clear peak at finite momentum transfers. Using a simple scattering function with double-Lorentzian shape, we demonstrate that this peak is a manifestation of simple diffusive spin fluctuations. Experimental results of several parameters are compared in the context of localized-moment and itinerant-electron pictures. The ratio of spin wave stiffness constant D and transition temperature kT/sub c/ is shown to be a good yardstick for the degree of itinerancy of d-electrons

Aqueous phase hydrogenation of phenol catalyzed by Pd and PdAg on ZrO 2

Energy Technology Data Exchange (ETDEWEB)

Resende, Karen A.; Hori, Carla E.; Noronha, Fabio B.; Shi, Hui; Gutierrez, Oliver Y.; Camaioni, Donald M.; Lercher, Johannes A.

2017-11-01

Hydrogenation of phenol in aqueous phase was studied over a series of ZrO2-supported Pd catalysts in order to explore the effects of particle size and of Ag addition on the activity of Pd. Kinetic assessments were performed in a batch reactor, on monometallic Pd/ZrO2 samples with different Pd loadings (0.5%, 1% and 2%), as well as on a 1% PdAg/ZrO2 sample. The turnover frequency (TOF) increases with the Pd particle size. The reaction orders in phenol and H2 indicate that the surface coverages by phenol, H2 and their derived intermediates are higher on 0.5% Pd/ZrO2 than on other samples. The activation energy was the lowest on the least active sample (0.5% Pd/ZrO2), while being identical on 1% and 2% Pd/ZrO2 catalysts. Thus, the significantly lower activity of the small Pd particles (1-2 nm on average) in 0.5%Pd/ZrO2 is explained by the unfavorable activation entropies for the strongly bound species. The presence of Ag increases considerably the TOF of the reaction by decreasing the Ea and increasing the coverages of phenol and H2.

S =1/2 ferromagnetic-antiferromagnetic alternating Heisenberg chain in a zinc-verdazyl complex

Science.gov (United States)

Yamaguchi, Hironori; Shinpuku, Yasuhiro; Shimokawa, Tokuro; Iwase, Kenji; Ono, Toshio; Kono, Yohei; Kittaka, Shunichiro; Sakakibara, Toshiro; Hosokoshi, Yuko

2015-02-01

We successfully synthesized the zinc-verdazyl complex [Zn(hfac)2].(o -Py -V ) [hfac = 1,1,1,5,5,5-hexafluoroacetylacetonate; o -Py-V = 3-(2-pyridyl)-1,5-diphenylverdazyl], which is an ideal model compound with an S = 1/2 ferromagnetic-antiferromagnetic alternating Heisenberg chain (F-AF AHC). Ab initio molecular-orbital (MO) calculations indicate that two dominant interactions JF and JAF form the S = 1/2 F-AF AHC in this compound. The magnetic susceptibility and magnetic specific heat of the compound exhibit thermally activated behavior below approximately 1 K. Furthermore, its magnetization curve is observed up to the saturation field and directly indicates a zero-field excitation gap of 0.5 T. These experimental results provide evidence for the existence of a Haldane gap. We successfully explain the results in terms of the S = 1/2 F-AF AHC through quantum Monte Carlo calculations with | JAF/JF|=0.22 . The ab initio MO calculations also indicate a weak AF interchain interaction J' and that the coupled F-AF AHCs form a honeycomb lattice. The J' dependence of the Haldane gap is calculated, and the actual value of J' is determined to be less than 0.01 | JF| .

Optoelectronic behavior of Quaternary Uranium Chalcogenides Rb{sub 2}Pd{sub 3}UM{sub 6} (M = S, Se): A first principle study

Energy Technology Data Exchange (ETDEWEB)

Din, Haleem Ud [Department of Physics, Hazara University, Mansehra (Pakistan); Azam, Sikander; Khan, Saleem Ayaz [New Technologies – Research Center, University of West Bohemia, Univerzitni 8, 306 14 Pilsen (Czech Republic); Khenata, R., E-mail: khenata_rabah@yahoo.fr [Laboratoire de Physique Quantique et de Modélisation Mathématique (LPQ3M), Département de Technologie, Université de Mascara, Mascara 29000 (Algeria)

2014-12-05

Highlights: • The Fermi surface and optoelectronic properties for Rb{sub 2}Pd{sub 3}UM{sub 6} (M = S, Se) compounds are investigated for the first time. • The electronic band structure calculations reveal a metallic nature for the herein studied compounds. • The bonding nature between different atoms is discussed. • Considerable anisotropy was found between the principal complex tensor components for the two compounds. - Abstract: First principle calculations of electronic, Fermi surface, electronic charge density and optical properties of Quaternary Uranium Chalcogenides Rb{sub 2}Pd{sub 3}UM{sub 6} (M = S, Se) are performed using full potential linear augmented plane wave (FP-LAPW) method within the frame work of density functional theory. Using mBJ method, the electronic band curves overlap at Fermi level and show metallic band structure for both compounds. The calculated densities of states (DOS) spectra show that the valence band is mainly attributed to Rb-p, Pd-d and S-s/p or Se-s/p states; conduction band is mainly attributed to Pd-d, U-f and S-p or Se-p/d states. From the electronic charge density spectrum, it is revealed that a strong covalent bond exists between Pd and S, and Pd or Se while charge transfer between U and S, U and Se, Rb and S, and Rb and Se atoms results in ionic bond nature. It is noted from Fermi surface calculations that both compounds comprise same number of fast velocity electrons but differs in slow or intermediate velocity of electrons. The calculated frequency dependent dielectric function, energy loss function and reflectivity show a considerable anisotropy for both compounds.

Structural study of U(Pd sub 1 sub - sub x Fe sub x) sub 2 Ge sub 2 at high pressure

CERN Document Server

Sikolenko, V V; Pomjakushina, E V; Pomjakushin, V Y; Balagurov, A M; Keller, L; Glazkov, V P; Gribanov, A V; Goncharenko, I N; Savenko, B N

2003-01-01

The crystal structure of the U(Pd sub 1 sub - sub x Fe sub x) sub 2 Ge sub 2 compounds with Fe content x = 0- 0.03 and the crystal and magnetic structure of U(Pd sub 0 sub . sub 9 sub 8 Fe sub 0 sub . sub 0 sub 2) sub 2 Ge sub 2 at high external pressures up to 4.5 GPa were studied by means of powder neutron diffraction in the temperature range 1.5-300 K. With increasing Fe content the values of the lattice parameters and interatomic distances change only slightly, but it is known from previous experiments that the magnetic structure changes drastically for x >= 0.015. In contrast to this, high external pressure modifies the crystal structure more significantly while the magnetic structure remains unchanged. The results obtained allow one to infer that drastic changes in the magnetic structure of the U(Pd sub 1 sub - sub x Fe sub x) sub 2 Ge sub 2 compounds with increasing Fe content are a consequence of modification of the RKKY-type (RKKY standing for Ruderman, Kittel, Kasuya and Yosida) indirect exchange in...

Site dependence of the Kondo scale in CePd{sub 1-x}Rh{sub x} evidenced by thermopower

Energy Technology Data Exchange (ETDEWEB)

Stockert, Ulrike; Hartmann, Stefanie; Deppe, Micha; Caroca-Canales, Nubia; Geibel, Christoph; Steglich, Frank [Max Planck Institute for Chemical Physics of Solids, Dresden (Germany); Sereni, Julian [Division Bajas Temperaturas, Centro Atomico Bariloche (Argentina)

2015-07-01

CePd{sub 1-x}Rh{sub x} undergoes a continuous evolution from ferromagnetic order in CePd to an intermediate-valence (IV) ground state for CeRh. Close to the disappearance of magnetic order at x{sub cr} ∼ 0.87 unusual behavior of the ac susceptibility and the specific heat was observed. It was explained with a broad distribution of local Kondo temperatures T{sub K} from below 2 K to above 50 K due to the disorder introduced by Pd-Rh exchange. The thermopower S is very sensitive to Kondo scattering even for diluted 4f systems. In Ce compounds a large positive maximum in S(T) is usually observed around T{sub K}. We studied S(T) in CePd{sub 1-x}Rh{sub x} in order to evaluate the presence of Kondo scattering and the involved energy scales. Pure CeRh shows typical IV behavior with a large maximum at 220 K and small values at low T. Already 5 % Pd substitution leads to a strong enhancement of the low-T thermopower. Even larger values are found around x{sub cr}, while the high-T maximum shifts only moderately. Our results are in line with the existence of low (local) Kondo scales in the presence of IV behavior at high Rh content x > x{sub cr}. For lower Rh content a decreasing (average) Kondo scale is found.

A multi-functional coordination polymer coexisting spontaneous chirality resolution and weak ferromagnetism

Energy Technology Data Exchange (ETDEWEB)

Li, Xiu-Hua, E-mail: xhli.univ@gmail.com [College of Chemistry and Chemical Engineering, Fujian Normal University, Fuzhou, 350117 Fujian (China); Zhang, Qi [School of Life Science, Changchun Normal University, Changchun, 130032 Jilin (China); Hu, Ping [Southampton Management School, University of Southampton, Highfield, Southampton SO17 1BJ (United Kingdom)

2014-10-15

A multifunctional homochiral coordination polymer, [Co(H{sub 2}O)(BDC)(4,4′-BPY)]∙3H{sub 2}O (1) (H{sub 2}BDC=1,2-benzenedicarboxylate and 4,4′-BPY=4,4′-bipyridine), has been successfully isolated from Co(II) ions and mixed ligands (1,2-benzenedicarboxylate and 4,4′-bipyridine). Complex 1, which exhibits spontaneous chirality resolution and weak ferromagnetism, is built by chiral helices interconnected via end-to-end 4,4′-BPY bridges into a two-dimensional (2D) layer structure. - Graphical abstract: A 2D cobalt coordination polymer compound showing spontaneous chirality resolution and weak ferromagnetism. - Highlights: • A new 2D cobalt mix-ligand coordination polymer complex has been synthesized. • The cobalt coordination polymer complex shows spontaneous chirality resolution in solid state. • The cobalt coordination polymer complex displays dominant and weak intrachain ferromagnetic interactions.

A multi-functional coordination polymer coexisting spontaneous chirality resolution and weak ferromagnetism

International Nuclear Information System (INIS)

Li, Xiu-Hua; Zhang, Qi; Hu, Ping

2014-01-01

A multifunctional homochiral coordination polymer, [Co(H 2 O)(BDC)(4,4′-BPY)]∙3H 2 O (1) (H 2 BDC=1,2-benzenedicarboxylate and 4,4′-BPY=4,4′-bipyridine), has been successfully isolated from Co(II) ions and mixed ligands (1,2-benzenedicarboxylate and 4,4′-bipyridine). Complex 1, which exhibits spontaneous chirality resolution and weak ferromagnetism, is built by chiral helices interconnected via end-to-end 4,4′-BPY bridges into a two-dimensional (2D) layer structure. - Graphical abstract: A 2D cobalt coordination polymer compound showing spontaneous chirality resolution and weak ferromagnetism. - Highlights: • A new 2D cobalt mix-ligand coordination polymer complex has been synthesized. • The cobalt coordination polymer complex shows spontaneous chirality resolution in solid state. • The cobalt coordination polymer complex displays dominant and weak intrachain ferromagnetic interactions

Evaluation of structure models of Ho2PdSi3 using DAFS, inter alia at a satellite reflection

International Nuclear Information System (INIS)

Nentwich, M; Zschornak, M; Richter, C; Meyer, D C

2014-01-01

The compounds R 2 PdSi 3 , with R = rare earth, exhibit a very interesting magnetic behavior with two phase transitions. Substituting one in four Si atoms by Pd in HoSi 2 results in a modulation of the aristotype. There are several different variants discussed in literature about the nature of the modulation of this rare-earth compound. Two of the latest models were compared: a 2 × 2 × 1 layer and a 2 × 2 × 8 stack. The chosen method is Diffraction Anomalous Fine Structure (DAFS) and was applied both experimentally and by simulation at different absorption edges and reflections, i. a. a satellite reflection, aiming on finding the correct crystal structure

Forced-ferromagnetic state in a Tm.sub.2./sub.Fe.sub.17./sub.H.sub.5./sub. single crystal

Czech Academy of Sciences Publication Activity Database

Tereshina, Evgeniya; Kuz'min, M.D.; Skourski, Y.; Doerr, M.; Iwasieczko, W.; Wosnitza, J.; Tereshina, I. S.

2017-01-01

Roč. 29, č. 24 (2017), s. 1-6, č. článku 24LT01. ISSN 0953-8984 Institutional support: RVO:68378271 Keywords : single crystal * hydride * forced-ferromagnetic state * rare- earth -iron intermetallic compound Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 2.649, year: 2016

The crystal structure and phase transitions of the magnetic shape memory compound Ni2MnGa

International Nuclear Information System (INIS)

Brown, P J; Crangle, J; Kanomata, T; Matsumoto, M; Neumann, K-U; Ouladdiaf, B; Ziebeck, K R A

2002-01-01

High resolution neutron powder diffraction and single crystal measurements on the ferromagnetic shape memory compound Ni 2 MnGa have been carried out. They enabled the sequence of transformations which take place when the unstressed, stoichiometric compound is cooled from 400 to 20 K to be established. For the first time the crystallographic structure of each of the phases which occur has been determined. At 400 K the compound has the cubic L2 1 structure, and orders ferromagnetically at T C ∼ 365 K. On cooling below ∼ 260 K a super-structure, characterized by tripling of the repeat in one of the (110) cubic directions, forms. This phase, known as the pre-martensitic phase, persists down to the structural phase transition at T M ∼ 200 K and can be described by an orthorhombic unit cell with lattice parameters a ortho = 1/√2a cubic , b ortho = 3/√2a cubic , c ortho = a cubic and space group Pnnm. Below T M the compound has a related orthorhombic super-cell with b ortho ∼ 7/√2a cubic , which can be described within the same space group. The new modulation appears abruptly at T M and remains stable down to at least 20 K

Ultra-fine structures of Pd-Ag-HAp nanoparticle deposition on protruded TiO2 barrier layer for dental implant

Science.gov (United States)

Jang, Jae-Myung; Kim, Seung-Dai; Park, Tae-Eon; Choe, Han-Cheol

2018-02-01

The biocompatibility structure of an implant surface is of great importance to the formation of new bone tissue around the dental implant and also has a significant chemical reaction in the osseointegration process. Thus, ultra-fine Pd-Ag-HAp nanoparticles have been electrodeposited on protruded TiO2 barrier layer in mixed electrolyte solutions. Unusual protrusions patterns, which are assigned to Pd-Ag-HAp nanoparticles, can be clearly differentiated from a TiO2 nanotube oxide layer formed by an anodizing process. In the chemical bonding state, the surface characteristics of Pd/Ag/HAp compounds have been investigated by FE-SEM, EDS mapping analysis, and XPS analysis. The mapping dots of the elements including Ti, Ca, Pd, Ag, and P showed a homogeneous distribution throughout the entire surface when deposited onto the protruded TiO2 barrier layer. The XPS spectra of Ti-2p, O-1S, Pd-3d, and Ag-3d have been investigated, with the major XPS peak indicating Pd-3d. The Ag-3d level was clearly observed with further scanning of the Ca-2p region. Based on the results of the chemical states, the structural properties of the protrusion patterns were also examined after being deposited onto the barrier oxide film, resulting in the representative protrusion patterns being mainly composed of Pd-Ag-HAp compounds. The results of the soaking evaluation showed that the protrusion patterns and the protruded TiO2 barrier layer were all effective in regards to biocompatibility.

Voltage control of a magnetization easy axis in piezoelectric/ferromagnetic hybrid films

International Nuclear Information System (INIS)

Kim, Sang-Koog; Lee, Jeong-Won; Shin, Sung-Chul; Song, Han Wook; Lee, Chang Ho; No, Kwangsoo

2003-01-01

We have established a spontaneous magnetization-axis switching in ferromagnetic films by applying a low voltage to a piezoelectric layer in a newly developed hybrid system comprised of the ferromagnetic and piezoelectric films. The magnetization easy axis along which a spontaneous magnetization is oriented, is readily switchable by a voltage without applying an external magnetic field through both the inverse magnetostrictive and piezoelectric effects of CoPd and lead-zirconate-titanate alloy films, respectively. This challenging work provides a new way into the memory writing as well as storage means of ultrahigh bit densities in nonvolatile magnetic random access memory

Anomalous electrical resistance and magnetoresistance in Gd{sub 2}PdSi{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Mallik, R; Sampathkumaran, E V [Tata Institute of Fundamental Research, Mumbai (India)

1997-12-31

The results of the investigations of electrical resistance (p) in zero field as well as in the presence of magnetic field (up to 70 kOe) and of heat capacity (C) in a new compound, Gd{sub 2}PdSi{sub 3} having AlB{sub 2} type crystal structure are reported. 1 ref., 2 figs.

Low temperature and surfactant-free synthesis of Pd2Sn intermetallic nanoparticles for ethanol electro-oxidation

International Nuclear Information System (INIS)

Wang, Congmin; Wu, Yurong; Wang, Xin; Zou, Liangliang; Zou, Zhiqing; Yang, Hui

2016-01-01

Many intermetallic compounds have a predictable structure, interesting electronic effects, and useful catalytic properties. In this work, a low temperature, surfactant-free, and one-pot method is used to synthesize carbon supported Pd 2 Sn intermetallic nanoparticles. The superlattice of the product was then characterized using X-ray diffraction and transmission electron microscopy. These synthesized intermetallic nanoparticles were found to exhibit a higher activity and stability for electrocatalysis of the ethanol oxidation reaction in an alkaline media than has been achieved using a traditional Pd/C catalyst, which could be attributed to the structural and compositional stabilities of ordered Pd 2 Sn intermetallic nanoparticles.

Comparison of a Shastry-Sutherland lattice stability in Ce{sub 2}Pd{sub 2}Sn as a function of field and doping

Energy Technology Data Exchange (ETDEWEB)

Sereni, Julian G, E-mail: jsereni@cab.cnea.gov.ar [Low Temperature Div., CAB-CNEA and CONICET, 8400 S.C. de Bariloche (Argentina)

2011-01-01

A comparative study of the stability of a Shastry-Sutherland lattice (SSL) in Ce{sub 2}Pd{sub 2}Sn under different physical conditions is presented. Applied magnetic field suppresses the SSL of stoichiometric Ce{sub 2}Pd{sub 2}Sn in a magnetic critical point at T{sub cr}(B) = 4.2K and B{sub cr} = 0.13 T, whereas 25% of Ni does it at T{sub cr}(Ni) = 3.4 K. Electronic concentration variation, driven by the increase of Pd (holes) concentration in Ce{sub 2}Pd{sub 2+y}In{sub 1-y}, decreases the magnetic transition down to T{sub M} = 2.8 K in the limit of the alloy solubility, i.e. y = 0.4. The existence of a M(B) plateau in SSL predicted by theory and the crossing of those isotherms, previously observed in the model compound SrCu{sub 2}(BO{sub 3}){sub 2} are analyzed.

Rise and fall of ferromagnetism in O-irradiated Al2O3 single crystals

International Nuclear Information System (INIS)

Li, Qiang; Xu, Juping; Liu, Jiandang; Du, Huaijiang; Ye, Bangjiao

2015-01-01

In dilute magnetic semiconductors studies, sapphire was usually used as non-magnetic substrate for films. We observed weak ferromagnetic component in Al 2 O 3 single crystal substrate, and excluded the possibility of ferromagnetic contaminations carefully by inductively coupled plasma mass spectrometry and X-ray photoelectron spectroscopy. The ferromagnetism rise and fall during the process of annealing-oxygen irradiation-annealing of the sapphire. The ferromagnetic changes are consistent with Al-vacancy related defects detected by positron annihilation spectroscopy. With first-principle calculations, we confirm that Al-vacancy can introduce magnetic moment for 3 μB in Al 2 O 3 crystal and form stable V Al -V Al ferromagnetic coupling at room temperature

AuPd Bimetallic Nanocrystals Embedded in Magnetic Halloysite Nanotubes: Facile Synthesis and Catalytic Reduction of Nitroaromatic Compounds

Directory of Open Access Journals (Sweden)

Lei Jia

2017-10-01

Full Text Available In this research, a facile and effective approach was developed for the preparation of well-designed AuPd alloyed catalysts supported on magnetic halloysite nanotubes (HNTs@Fe3O4@AuPd. The microstructure and the magnetic properties of HNTs@Fe3O4@AuPd were confirmed by transmission electron microscopy (TEM, high resolution TEM (HRTEM, energy-dispersive X-ray spectroscopy (EDS, and vibrating sample magnetometry (VSM analyses. The catalysts, fabricated by a cheap, environmentally friendly, and simple surfactant-free formation process, exhibited high activities during the reduction of 4-nitrophenol and various other nitroaromatic compounds. Moreover, the catalytic activities of the HNTs@Fe3O4@AuPd nanocatalysts were tunable via adjusting the atomic ratio of AuPd during the synthesis. As compared with the monometallic nanocatalysts (HNTs@Fe3O4@Au and HNTs@Fe3O4@Pd, the bimetallic alloyed HNTs@Fe3O4@AuPd nanocatalysts exhibited excellent catalytic activities toward the reduction of 4-nitrophenol (4-NP to 4-aminophenol. Furthermore, the as-obtained HNTs@Fe3O4@AuPd can be recycled several times, while retaining its functionality due to the stability and magnetic separation property.

Electronic Structure Evolution across the Peierls Metal-Insulator Transition in a Correlated Ferromagnet

Directory of Open Access Journals (Sweden)

P. A. Bhobe

2015-10-01

Full Text Available Transition metal compounds often undergo spin-charge-orbital ordering due to strong electron-electron correlations. In contrast, low-dimensional materials can exhibit a Peierls transition arising from low-energy electron-phonon-coupling-induced structural instabilities. We study the electronic structure of the tunnel framework compound K_{2}Cr_{8}O_{16}, which exhibits a temperature-dependent (T-dependent paramagnetic-to-ferromagnetic-metal transition at T_{C}=180  K and transforms into a ferromagnetic insulator below T_{MI}=95  K. We observe clear T-dependent dynamic valence (charge fluctuations from above T_{C} to T_{MI}, which effectively get pinned to an average nominal valence of Cr^{+3.75} (Cr^{4+}∶Cr^{3+} states in a 3∶1 ratio in the ferromagnetic-insulating phase. High-resolution laser photoemission shows a T-dependent BCS-type energy gap, with 2G(0∼3.5(k_{B}T_{MI}∼35  meV. First-principles band-structure calculations, using the experimentally estimated on-site Coulomb energy of U∼4  eV, establish the necessity of strong correlations and finite structural distortions for driving the metal-insulator transition. In spite of the strong correlations, the nonintegral occupancy (2.25 d-electrons/Cr and the half-metallic ferromagnetism in the t_{2g} up-spin band favor a low-energy Peierls metal-insulator transition.

Field-induced quantum criticality of a spin-1/2 planar ferromagnet

International Nuclear Information System (INIS)

Mercaldo, M T; Rabuffo, I; Cesare, L De; D'Auria, A Caramico

2009-01-01

The low-temperature critical properties and crossovers of a spin- 1/2 planar ferromagnet in a longitudinal magnetic field are explored in terms of an anisotropic bosonic action, suitable to describe the spin model in the low-temperature regime. This is performed adopting a procedure which combines an averaging over dynamic degrees of freedom and the classical Wilson renormalization group transformation. Within this framework we get the phase boundary, ending in a quantum critical point, and general expressions for the correlation length and susceptibility as functions of the temperature and the applied magnetic field within the disordered phase. In particular, two crossovers occur decreasing the temperature with the magnetic field fixed at its quantum critical point value, which might be actually observable in complex magnetic compounds, as suggested by recent experiments.

Catalytic Oxidation of Propene over Pd Catalysts Supported on CeO2, TiO2, Al2O3 and M/Al2O3 Oxides (M = Ce, Ti, Fe, Mn

Directory of Open Access Journals (Sweden)

Sonia Gil

2015-04-01

Full Text Available In the following work, the catalytic behavior of Pd catalysts prepared using different oxides as support (Al2O3, CeO2 and TiO2 in the catalytic combustion of propene, in low concentration in excess of oxygen, to mimic the conditions of catalytic decomposition of a volatile organic compound of hydrocarbon-type is reported. In addition, the influence of different promoters (Ce, Ti, Fe and Mn when added to a Pd/Al2O3 catalyst was analyzed. Catalysts were prepared by the impregnation method and were characterized by ICP-OES, N2 adsorption, temperature-programmed reduction, temperature-programmed oxidation, X-ray diffraction, X-ray photoelectron spectroscopy and transmission electron microscopy. Catalyst prepared using CeO2 as the support was less easily reducible, due to the stabilization effect of CeO2 over the palladium oxides. Small PdO particles and, therefore, high Pd dispersion were observed for all of the catalysts, as confirmed by XRD and TEM. The addition of Ce to the Pd/Al2O3 catalysts increased the metal-support interaction and the formation of highly-dispersed Pd species. The addition of Ce and Fe improved the catalytic behavior of the Pd/Al2O3 catalyst; however, the addition of Mn and Ti decreased the catalytic activity in the propene oxidation. Pd/TiO2 showed the highest catalytic activity, probably due to the high capacity of this catalyst to reoxidize Pd into PdO, as has been found in the temperature-programmed oxidation (TPO experiments.

Helimagnetism and weak ferromagnetism in edge-shared chain cuprates

International Nuclear Information System (INIS)

Drechsler, S.-L.; Richter, J.; Kuzian, R.; Malek, J.; Tristan, N.; Buechner, B.; Moskvin, A.S.; Gippius, A.A.; Vasiliev, A.; Volkova, O.; Prokofiev, A.; Rakoto, H.; Broto, J.-M.; Schnelle, W.; Schmitt, M.; Ormeci, A.; Loison, C.; Rosner, H.

2007-01-01

The present understanding of a novel growing class of chain cuprates with intriguing magnetic properties is reviewed. Among them, several undoped edge-shared CuO 2 chain compounds show at low temperature a clear tendency to helicoidal magnetical ordering with acute pitch angles and sometimes also to weak ferromagnetism. Our analysis is based on the isotropic 1D frustrated J 1 -J 2 Heisenberg model with ferromagnetic (FM) 1st neighbor and antiferromagnetic 2nd neighbor exchange. The achieved assignment is supported by microscopic calculations of the electronic and magnetic structure. We consider Na(Li)Cu 2 O 2 , LiVCuO 4 as the best studied helimagnets, Li 2 ZrCuO 4 and other systems close to a FM quantum critical point, as well as Li 2 CuO 2 with FM inchain ordering. The interplay of frustrated inchain couplings, anisotropy and interchain exchange is discussed

Antiferromagnetic spin fluctuations in the heavy-fermion superconductor Ce2PdIn8

Science.gov (United States)

Tran, V. H.; Hillier, A. D.; Adroja, D. T.; Kaczorowski, D.

2012-09-01

Inelastic neutron scattering and muon spin relaxation/rotation (μSR) measurements were performed on the heavy-fermion superconductor Ce2PdIn8. The observed scaling of the imaginary part of the dynamical susceptibility χ''Tα∝f(ℏω/kBT) with α=3/2 revealed a non-Fermi liquid character of the normal state, being due to critical antiferromagnetic fluctuations near a T=0 quantum phase transition. The longitudinal-field μSR measurements indicated that superconductivity and antiferromagnetic spin fluctuations coexist in Ce2PdIn8 on a microscopic scale. The observed power-law temperature dependence of the magnetic penetration depth λ∝T3/2, deduced from the transverse-field μSR data, strongly confirms an unconventional superconductivity in this compound.

Characterization of magnetic phase transitions in PrMn2Ge2 compound investigated by magnetization and hyperfine field measurements

Directory of Open Access Journals (Sweden)

B. Bosch-Santos

2017-05-01

Full Text Available The magnetic properties of PrMn2Ge2 compound have been investigated by perturbed γ−γ angular correlation (PAC spectroscopy using 111In(111Cd as probe nuclei as well as by magnetization measurements. This ternary intermetallic compound exhibits different magnetic structures depending on the temperature. The magnetic ordering is mainly associated with the magnetic moment of 3d-Mn sublattice but at low temperatures a magnetic contribution due to ordering of the magnetic moment from 4f-Pr sublattice appears. PAC results with 111Cd probe nuclei at Mn sites show that the temperature dependence of hyperfine field Bhf(T follows the expected behavior for the host magnetization, which could be fitted by two Brillouin functions, one for antiferromagnetic phase and the other for ferromagnetic phase, associated with the magnetic ordering of Mn ions. Magnetization measurements showed the magnetic behavior due to Mn ions highlighting the antiferromagnetic to ferromagnetic transition around 326 K and an increase in the magnetization around 36 K, which is ascribed to Pr ions ordering.

Spin-Orbit Torques in Co/Pd Multilayer Nanowires

KAUST Repository

Jamali, Mahdi; Narayanapillai, Kulothungasagaran; Qiu, Xuepeng; Loong, Li Ming; Manchon, Aurelien; Yang, Hyunsoo

2013-01-01

Current induced spin-orbit torques have been studied in ferromagnetic nanowires made of 20 nm thick Co/Pd multilayers with perpendicular magnetic anisotropy. Using Hall voltage and lock-in measurements, it is found that upon injection of an electric current both in-plane (Slonczewski-like) and perpendicular (fieldlike) torques build up in the nanowire. The torque efficiencies are found to be as large as 1.17 and 5 kOe at 108  A/cm2 for the in-plane and perpendicular components, respectively, which is surprisingly comparable to previous studies in ultrathin (∼1  nm) magnetic bilayers. We show that this result cannot be explained solely by spin Hall effect induced torque at the outer interfaces, indicating a probable contribution of the bulk of the Co/Pd multilayer.

Spin-Orbit Torques in Co/Pd Multilayer Nanowires

KAUST Repository

Jamali, Mahdi

2013-12-09

Current induced spin-orbit torques have been studied in ferromagnetic nanowires made of 20 nm thick Co/Pd multilayers with perpendicular magnetic anisotropy. Using Hall voltage and lock-in measurements, it is found that upon injection of an electric current both in-plane (Slonczewski-like) and perpendicular (fieldlike) torques build up in the nanowire. The torque efficiencies are found to be as large as 1.17 and 5 kOe at 108  A/cm2 for the in-plane and perpendicular components, respectively, which is surprisingly comparable to previous studies in ultrathin (∼1  nm) magnetic bilayers. We show that this result cannot be explained solely by spin Hall effect induced torque at the outer interfaces, indicating a probable contribution of the bulk of the Co/Pd multilayer.

Large magnetocaloric effect of GdNiAl2 compound

International Nuclear Information System (INIS)

Dembele, S.N.; Ma, Z.; Shang, Y.F.; Fu, H.; Balfour, E.A.; Hadimani, R.L.; Jiles, D.C.; Teng, B.H.; Luo, Y.

2015-01-01

This paper presents the structure, magnetic properties, and magnetocaloric effect of the polycrystalline compound GdNiAl 2 . Powder X-ray diffraction (XRD) measurement and Rietveld refinement revealed that GdNiAl 2 alloy is CuMgAl 2 -type phase structure with about 1 wt% GdNi 2 Al 3 secondary phase. Magnetic measurements suggest that the compound is ferromagnetic and undergoes a second-order phase transition near 28 K. The maximum value of magnetic entropy change reaches 16.0 J/kg K for an applied magnetic field change of 0–50 kOe and the relative cooling power was 6.4×10 2 J/kg. It is a promising candidate as a magnetocaloric material working near liquid hydrogen temperature (~20 K) exhibiting large relative cooling power. - Highlights: • Preferred orientation with axis of [010] was found in the GdNiAl 2 compound. • The ΔS Mmax and the RCP are 16.0 J/kg K and 640 J/kg, respectively, for ΔH=50 kOe. • Relative low rare earth content in GdNiAl 2 comparing with other candidates

[Promotion effects of vitamin B12 on the degradation of 2, 4, 4'-trichlorobiphenyl by Nostoc PD-2].

Science.gov (United States)

Liu, Jia-Yu; Xiao, Wen-Feng; Lu, Li-Ping; Zhang, Hang-Jun

2014-08-01

Polychlorinated biphenyls are typical persistent chlorinated organic compounds in the environment. Bioremediation of PCB-contaminated environment has become one of the hot issues. In this study, vitamin B12 (VB12) and chlorine-free culture medium were applied to study the effects of VB12 on the degradation of 2,4,4'-trichlorobiphenyl (PCB28) by Nostoc PD-2 and the gene expression during the PCB-degradation process. Results showed that addition of different concentrations of vitamin B12 could improve the PCB-biodegradation rates by Nostoc PD-2. Compared with the control group, the 7-day degradation rate in 10 microg x L(-1), 100 microg x L(-1), and 1 000 microg x L(-1) VB12-treated groups increased by 11.0%, 19.7%, and 21.9% , respectively. The degradation half-time decreased from 5.53 days (treated with 10 microg x L(-1) VB12) to 3.08 days (treated with 100 microg x L(-1) VB12). The expression of cytochrome b6f complex iron-sulfur protein gene and dioxygenase gene showed significant correlation with PCB28-degradation by Nostoc PD-2. While the expression of iron-sulfur protein gene showed more significant correlation with PCB28-degradation. Results in this study indicated that adding VB12 could promote PCB28-degradation by Nostoc PD-2. Moreover, VB12 addition improved the PCB-degradation activity of Nostoc PD-2 at the gene level. The above conclusions could provide a new choice for developing efficient bioremediation technology for PCB-contaminated environment and a new insight into the PCB-biodegradation mechanism by Nostoc PD-2.

Ferromagnetic Instability in AFe4Sb12 (A = Ca, Sr, and Ba)

OpenAIRE

Matsuoka, E.; Hayashi, K.; Ikeda, A.; Tanaka, K.; Takabatake, T.; Higemoto, W.; Matsumura, M.

2004-01-01

Magnetic, transport and thermal properties of AFe4Sb12 (A = Ca, Sr, Ba) are reported. All three compounds show a maximum in both the magnetic susceptibility and thermopower at 50 K, and a large electronic specific heat coefficient of 100 mJ/mol K2. These properties are the characteristics of a nearly ferromagnetic metal. Furthermore, a remanent moment of the order of 10-3muB/Fe was observed below 54, 48, and 40 K for A = Ca, Sr, and Ba, respectively. The volume fraction of the ferromagnetic c...

A three-electrode column for Pd-catalytic oxidation of TCE in groundwater with automatic pH-regulation and resistance to reduced sulfur compound foiling.

Science.gov (United States)

Yuan, Songhu; Chen, Mingjie; Mao, Xuhui; Alshawabkeh, Akram N

2013-01-01

A hybrid electrolysis and Pd-catalytic oxidation process is evaluated for degradation of trichloroethylene (TCE) in groundwater. A three-electrode, one anode and two cathodes, column is employed to automatically develop a low pH condition in the Pd vicinity and a neutral effluent. Simulated groundwater containing up to 5 mM bicarbonate can be acidified to below pH 4 in the Pd vicinity using a total of 60 mA with 20 mA passing through the third electrode. By packing 2 g of Pd/Al(2)O(3) pellets in the developed acidic region, the column efficiency for TCE oxidation in simulated groundwater (5.3 mg/L TCE) increases from 44 to 59 and 68% with increasing Fe(II) concentration from 0 to 5 and 10 mg/L, respectively. Different from Pd-catalytic hydrodechlorination under reducing conditions, this hybrid electrolysis and Pd-catalytic oxidation process is advantageous in controlling the fouling caused by reduced sulfur compounds (RSCs) because the in situ generated reactive oxidizing species, i.e., O(2), H(2)O(2) and OH, can oxidize RSCs to some extent. In particular, sulfite at concentrations less than 1 mM even greatly increases TCE oxidation by the production of SO(4)(•-), a strong oxidizing radical, and more OH. Copyright © 2012 Elsevier Ltd. All rights reserved.

Control of room-temperature defect-mediated ferromagnetism in VO{sub 2} films

Energy Technology Data Exchange (ETDEWEB)

Yang, Tsung-Han, E-mail: tyang3@ncsu.edu [NSF Center for Advanced Materials and Smart Structures, Department of Materials Science and Engineering, North Carolina State University, Raleigh, NC 27695-7907 (United States); Nori, Sudhakar; Mal, Siddhartha; Narayan, Jagdish [NSF Center for Advanced Materials and Smart Structures, Department of Materials Science and Engineering, North Carolina State University, Raleigh, NC 27695-7907 (United States)

2011-09-15

We report interesting ferromagnetic properties and their control in a vanadium-based oxide system driven by stoichiometric defects. Vanadium oxide (VO{sub 2}) thin films were grown on c-plane sapphire substrates by a pulsed laser deposition technique under different ambient conditions. The ferromagnetism of the epitaxial VO{sub 2} films can be switched on and off by altering the cooling ambient parameters. In addition, the saturated magnetic moments and coercivity of the VO{sub 2} films were found to be a function of the oxygen partial pressure during the growth process. The room-temperature ferromagnetic properties of VO{sub 2} films were correlated with the nature of the microstructure and the growth parameters. The origin of the induced magnetic properties are qualitatively understood to stem from intrinsic structural and stoichiometric defects.

Spin transport in ferromagnetically contacted carbon nanotubes

Energy Technology Data Exchange (ETDEWEB)

Meyer, C.; Morgan, C.; Schneider, C.M. [Peter Gruenberg Institut, PGI-6, Forschungszentrum Juelich and JARA Juelich Aachen Research Alliance, 52425 Juelich (Germany)

2011-11-15

We present magnetoresistance (MR) measurements on carbon nanotubes (CNTs) with different ferromagnetic leads. A sample with permalloy (Ni{sub 80}Fe{sub 20}) contacts shows the expected tunneling-type MR effect. Measurements on devices with CoPd contacts show a larger change of resistance with magnetic field. However, only minor loops are observed, which is explained with domain wall pinning. This is supported by magnetic force microscopy (MFM) measurements, which reveal a complicated bubble and stripe domain pattern. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Crystal structure and magnetic properties of RCu5-xPdx (R=Pr, Nd, Sm and Eu) alloys

International Nuclear Information System (INIS)

Shah, K.V.; Bonville, P.; Manfrinetti, P.; Provino, A.; Dhar, S.K.

2009-01-01

We report the effect of replacing Cu by Pd in RCu 5 (R=Pr, Nd, Sm and Eu). The parent RCu 5 compounds crystallize in the hexagonal CaCu 5 -type structure. The hexagonal symmetry is retained in PrCu 4 Pd and EuCu 5-x Pd x (x=1 and 2) but the crystal structure changes to cubic AuBe 5 -type in PrCu 3 Pd 2 , NdCu 5-x Pd x (x=1 and 2) and SmCu 4 Pd. Substitution with Pd leads to lattice expansion and modifies the magnetic behavior. While PrCu 5 is known to be a van-Vleck paramagnet with a singlet ground state, PrCu 4 Pd and PrCu 3 Pd 2 show ferromagnetic-like behavior at low temperatures. SmCu 4 Pd orders ferromagnetically near 28 K in contrast to the antiferromagnetic nature of the parent SmCu 5 . The divalent nature of the Eu ions in EuCu 5 is retained in the ternary alloys, but the Curie temperature is reduced from 57 to 24.5 and 14.5 K in EuCu 4 Pd and EuCu 3 Pd 2 , respectively, inferred from the location of peak in the heat capacity of these two compounds. The magnetic hyperfine field at the Eu nucleus measured with 151 Eu Moessbauer spectroscopy in the ternary Eu-alloys is comparable to that in EuCu 5 . The magnetic behavior of NdCu 4 Pd is similar to that reported in NdCu 5 . The zero-field-cooled, low-field magnetization of NdCu 3 Pd 2 shows a region of diamagnetic behavior roughly between 21 and 4 K, but the field-cooled response is positive.

TRAC-PD2 analysis of FLECHT experiments

International Nuclear Information System (INIS)

Bott, T.F.; Mandell, D.A.

1981-01-01

This report describes TRAC-PD2 calculations of FLECHT (Full Length Emergency Cooling Heat Transfer) tests 4831 and 17201. The calculations were performed as part of the TRAC-PD2 developmental assessment where the objective was to assess TRAC-PD2 reflood modeling under forced flooding conditions. Calculated and experimental values for peak fuel-rod clad temperature, clad quenching time, and rod bundle effluent rates are compared; and calculations with an approximate radiation heat-transfer model added to the basic TRAC-PD2 code are performed. Findings demonstrate the potential importance of surface-to-surface radiation heat transfer in these tests

Influence of Pd-precursor on the acetoxylation activity of Pd-Sb/TiO{sub 2} catalysts

Energy Technology Data Exchange (ETDEWEB)

Ben-homeid, A. [Benghazi Univ. (Libyan Arab Jamahiriya). Chemistry Dept.; Kalevaru, V.N.; Radnik, J.; Luecke, B.; Martin, A. [Leibniz-Institut fuer Katalyse e.V. an der Universitaet Rostock (Germany)

2013-11-01

The impact of palladium precursors (e.g. chloride-PdCl{sub 2}; acetate-Pd(OAc){sub 2}; nitrate-Pd(NO{sub 3}){sub 2}) on the catalytic properties of Pd-Sb/TiO{sub 2} catalysts used for acetoxylation of toluene has been investigated. The catalysts were characterized by different techniques such as N{sub 2}-adsorption (BET-surface area and pore volume), XRD, TEM, CO-Chemisorption and XPS for better understanding of the catalytic properties of the catalysts. The acetate and nitrate-type precursors exhibited higher surface areas, pore volumes and higher dispersion of Pd, but displayed poor performance compared to chloride precursor. TEM analysis indicated that the size of Pd particles depended upon the nature of Pd-precursor. Among the three, chloride precursor exhibited bigger Pd particles. XPS results revealed that all the fresh catalysts irrespective of Pd-precursor contained Pd in oxidized state (i.e. Pd{sup +2}), while in the spent catalysts such oxidized Pd species were reduced. The catalytic performance was found to depend strongly on the nature of precursor used. Among the three, the catalysts prepared from chloride-type precursor showed much higher overall catalytic activity (68%) than those of nitrate and/or acetate type precursors. Moreover, these two precursors (acetate and nitrate) gave higher total oxidation products due to oxidative decomposition of mainly acetic acid. Furthermore, the catalyst prepared from Cl-precursor revealed easy deactivation due to coke deposition and also due to loss of Pd in the near-surface-region. (orig.)

Half-metallicity and ferromagnetism of TcX (X=C, Si and Ge) in zinc blende structure

Energy Technology Data Exchange (ETDEWEB)

Liu, Yong [College of Science, Yanshan University, Qinhuangdao 066004 (China); Physics Department, Brock University, St. Catharines, ON, Canada L2S 3A1 (Canada); Xing, Yue [College of Science, Yanshan University, Qinhuangdao 066004 (China); Bose, S.K., E-mail: sbose@brocku.ca [Physics Department, Brock University, St. Catharines, ON, Canada L2S 3A1 (Canada); Zhao, Yong-Hong [Department of Physics, Sichuan Normal University, Chengdu 610068 (China)

2013-02-15

We report results of a first-principles density-functional study of three binary transition-metal compounds TcX (X=C, Si and Ge) in the hypothetical cubic zinc blende (ZB) structure. Our calculations are based on the full potential linear augmented plane wave (FP-LAPW) plus local orbitals method, together with generalized gradient approximation for the exchange-correlation potential. Half-metallic (HM) ferromagnetism is observed in these binary compounds for their optimized cell volumes. In the HM state, these compounds possess an integer magnetic moment (1.000{mu}{sub B}) per formula unit, which is one of the important characteristics of half-metallic ferromagnets (HMFs). The ferromagnetic (FM) state is found to be stable for ZB TcC, TcSi and TcGe against the nonmagnetic (NM) and antiferromagnetic (AFM) states. Calculations show that half-metallicity can be maintained for a wide range of lattice constants in these binary compounds. Density functional calculations of exchange interactions and the Curie temperatures reveal similar trends for the three compounds with respect to the lattice parameter. These compounds are compatible with the traditional semiconductors, and could be useful in spin-electronics and other applications. The most important aspect of this work is to explore the possibility of not only magnetism, but HM ferromagnetism in compounds involving NM elements and 4d transition element Tc. - Highlights: Black-Right-Pointing-Pointer We study magnetism of the compounds TcSi, TcC, and TcGe. Black-Right-Pointing-Pointer These compounds, with nonmagnetic constituents, are found to be ferromagnetic. Black-Right-Pointing-Pointer They show robust half-metallicity in zinc blende structure. Black-Right-Pointing-Pointer Estimated Curie temperatures suggest that synthesis of these compounds is worth pursuing.

Edge passivation induced single-edge ferromagnetism of zigzag MoS_2 nanoribbons

International Nuclear Information System (INIS)

Wang, Rui; Sun, Hui; Ma, Ben; Hu, Jingguo; Pan, Jing

2017-01-01

We performed density functional theory study on electronic structure, magnetic properties and stability of zigzag MoS_2 nanoribbons (ZMoS_2NRs) with and without oxygen (O) passivation. The bare ZMoS_2NRs are magnetic metal with ferromagnetic edge states, edge passivation decreases their magnetism because of the decrease of edge unsaturated electrons. Obviously, the electronic structure and magnetic properties of ZMoS_2NRs greatly depend on edge states. When both edges are passivated by O atoms, ZMoS_2NRs are nonmagnetic metals. When either edge is passivated by O atoms, the systems exhibit single-edge ferromagnetism and magnetism concentrates on the non-passivated edge. Edge passivation can not only tune the magnetism of ZMoS_2NRs, but also enhance their stability by eliminating dangling bonds. These interesting findings on ZMoS_2NRs may open the possibility of their application in nanodevices and spintronics. - Highlights: • Edge passivation for tuning magnetism of zigzag MoS_2 nanoribbons (ZMoS_2NRs) is proposed. • Edge passivation can tune ZMoS_2NRs from nonmagnetic metal to ferromagnetic metal. • When either edge is passivated, the systems exhibit single-edge ferromagnetic states. • These findings may inspire great interest in the community of ZMoS_2NRs and motivate numerous experimental researches.

Domain engineering of the metastable domains in the 4f-uniaxial-ferromagnet CeRu2Ga2B

Science.gov (United States)

Wulferding, D.; Kim, H.; Yang, I.; Jeong, J.; Barros, K.; Kato, Y.; Martin, I.; Ayala-Valenzuela, O. E.; Lee, M.; Choi, H. C.; Ronning, F.; Civale, L.; Baumbach, R. E.; Bauer, E. D.; Thompson, J. D.; Movshovich, R.; Kim, Jeehoon

2017-04-01

In search of novel, improved materials for magnetic data storage and spintronic devices, compounds that allow a tailoring of magnetic domain shapes and sizes are essential. Good candidates are materials with intrinsic anisotropies or competing interactions, as they are prone to host various domain phases that can be easily and precisely selected by external tuning parameters such as temperature and magnetic field. Here, we utilize vector magnetic fields to visualize directly the magnetic anisotropy in the uniaxial ferromagnet CeRu2Ga2B. We demonstrate a feasible control both globally and locally of domain shapes and sizes by the external field as well as a smooth transition from single stripe to bubble domains, which opens the door to future applications based on magnetic domain tailoring.

Incommensurate magnetic ordering of PrPdAl

Energy Technology Data Exchange (ETDEWEB)

Keller, L. [Paul Scherrer Inst. (PSI), Villigen (Switzerland); Doenni, A. [National Research Inst. for Metals, Tsukuba, Ibaraki (Japan). Tsukuba Lab.; Fauth, F. [Institut Max von Laue - Paul Langevin, 75 - Paris (France)

1997-09-01

The intermetallic rare earth compound PrPdAl with ZrNiAl-type structure was investigated by means of powder neutron diffraction. PrPdAl orders below T{sub N} {approx_equal}4.2 K with an incommensurate antiferromagnetic propagation vector k = [1/2,0,{tau}], {tau}=0.398. The best fit was obtained with a sinusoidal modulation of the magnetic moments along the c-axis. (author) 2 figs., 2 refs.

Hydrodeoxygenation of phenol over Pd catalysts by in-situ generated hydrogen from aqueous reforming of formic acid

DEFF Research Database (Denmark)

Zeng, Ying; Wang, Ze; Lin, Weigang

2016-01-01

Hydrodeoxygenation of phenol, as model compound of bio-oil, was investigated over Pd catalysts, using formic acid as a hydrogen donor. The order of activity for deoxygenation of phenol with Pd catalysts was found to be: Pd/SiO2 > Pd/MCM-41 > Pd/CA > Pd/Al2O3 > Pd/HY approximate to Pd/ZrO2 ≈ Pd...

Strong coupling between localized 5f moments and itinerant quasiparticles in the ferromagnetic superconductor UGe2

Science.gov (United States)

Zhang, Wen; Liu, Yi; Wang, Xiaoying; Zhang, Yun; Xie, Donghua

2018-03-01

The heavy fermion physics arises from the complex interplay of nearly localized 4f/5f electrons and itinerant band-like ones, yielding heavy quasiparticles with an effective mass about 100 times (or more) of the bare electrons. Recently, experimental and theoretical investigations point out a localized and delocalized dual nature in actinide compounds, where itinerant quasiparticles account for the unconventional superconductivity in the vicinity of a magnetic instability. Here we report the strong coupling between localized 5f moments and itinerant quasiparticles in the ferromagnetic superconductor UGe2. The coupling is nearly antiferromagnetic. As embedded in the ferromagnetic matrix of localized 5f moments below {T}{{C}}≈ 52 {{K}}, this coupling leads to short-range dynamic correlations of heavy quasiparticles, characterized by fluctuations of magnetic clusters. Those cluster-like spins of itinerant quasiparticles show a broad hump of magnetization at {T}X≈ 28 {{K}}, which is typical for the spin-glass freezing. Thus, our results present the direct observation of itinerant quasiparticles coexisting with localized 5f moments by conventional magnetic measurements, providing a new route into the coexistence between ferromagnetism and superconductivity in heavy fermion systems. Project supported by the National Natural Science Foundation of China (Grant No. 11404297), the Science Challenge Project (Grant No. TZ2016004), and the Science and Technology Foundation of China Academy of Engineering Physics (Grant Nos. 2013B0301050 and 2014A0301013).

Formation of Mixed-Ligand Complexes of Pd2+ with Nucleoside 5'-Monophosphates and Some Metal-Ion-Binding Nucleoside Surrogates

Directory of Open Access Journals (Sweden)

Oleg Golubev

2014-10-01

Full Text Available Formation of mixed-ligand Pd2+ complexes between canonical nucleoside 5'-monophosphates and five metal-ion-binding nucleoside analogs has been studied by 1H-NMR spectroscopy to test the ability of these nucleoside surrogates to discriminate between unmodified nucleobases by Pd2+-mediated base pairing. The nucleoside analogs studied included 2,6-bis(3,5-dimethylpyrazol-1-yl-, 2,6-bis(1-methylhydrazinyl- and 6-(3,5-dimethylpyrazol-1-yl-substituted 9-(β-d-ribofuranosylpurines 1–3, and 2,4-bis(3,5-dimethylpyrazol-1-yl- and 2,4-bis(1-methylhydrazinyl-substituted 5-(β-d-ribofuranosyl-pyrimidines 4–5. Among these, the purine derivatives 1-3 bound Pd2+ much more tightly than the pyrimidine derivatives 4, 5 despite apparently similar structures of the potential coordination sites. Compounds 1 and 2 formed markedly stable mixed-ligand Pd2+ complexes with UMP and GMP, UMP binding favored by 1 and GMP by 2. With 3, formation of mixed-ligand complexes was retarded by binding of two molecules of 3 to Pd2+.

Methanol steam reforming over Pd/ZnO and Pd/CeO{sub 2} catalysts

Energy Technology Data Exchange (ETDEWEB)

Ranganathan, Easwar S.; Bej, Shyamal K.; Thompson, Levi T. [University of Michigan, Department of Chemical Engineering, 3026 H.H. Dow Building, 2300 Hayward Avenue, Ann Arbor, MI 48109-2136 (United States)

2005-08-10

The goal of work described in this paper was to better understand the methanol steam reforming (MSR) activity and selectivity patterns of ZnO and CeO{sub 2} supported Pd catalysts. This reaction is being used to produce H{sub 2}-rich gas for a number of applications including hydrogen fuel cells. The Pd/ZnO catalysts had lower MSR rates but were more selective for the production of CO{sub 2} than the Pd/CeO{sub 2} catalysts. The CH{sub 3}OH conversion rates were proportional to the H{sub 2} chemisorption uptake suggesting that the rate determining step was catalyzed by Pd. The corresponding turnover frequencies averaged 0.8+/-0.3s{sup -1} and 0.4+/-0.2s{sup -1} at 230{sup o}C for the Pd/ZnO and Pd/CeO{sub 2} catalysts, respectively. The selectivities are explained based on the reaction pathways, and characteristics of the support. The key surface intermediate appeared to be a formate. The ZnO supported catalysts had a higher density of acidic sites and favored pathways where the intermediate was converted to CO{sub 2} while the CeO{sub 2} supported catalysts had a higher density of basic sites and favored the production of CO.

Magnetic ordering in Sc{sub 2}CoSi{sub 2}-type R{sub 2}FeSi{sub 2} (R=Gd, Tb) and R{sub 2}CoSi{sub 2} (R=Y, Gd–Er) compounds

Energy Technology Data Exchange (ETDEWEB)

Morozkin, A.V., E-mail: morozkin@tech.chem.msu.ru [Department of Chemistry, Moscow State University, Leninskie Gory, House 1, Building 3, GSP-2, Moscow 119992 (Russian Federation); Knotko, A.V. [Department of Chemistry, Moscow State University, Leninskie Gory, House 1, Building 3, GSP-2, Moscow 119992 (Russian Federation); Yapaskurt, V.O. [Department of Petrology, Geological Faculty, Moscow State University, Leninskie Gory, Moscow 119992 (Russian Federation); Pani, M. [Department of Chemistry, University of Genova, Via Dodecaneso 31, 16146 Genova (Italy); Institute SPIN-CNR, C. Perrone 24, 16152 Genova (Italy); Nirmala, R. [Indian Institute of Technology Madras, Chennai 600036 (India); Quezado, S.; Malik, S.K. [Departamento de Física Teórica e Experimental, Universidade Federal do Rio Grande do Norte, Natal 59082-970 (Brazil)

2016-09-01

Magnetic and magnetocaloric properties of Sc{sub 2}CoSi{sub 2}-type R{sub 2}TSi{sub 2} (R=Gd–Er, T=Fe, Co) compounds have been studied using magnetization data. These indicate the presence of mixed ferromagnetic and antiferromagnetic interactions in these compounds. One observes a ferromagnetic transition followed by an antiferromagnetic order and a further possible spin-reorientation transition at low temperatures. Compared to Gd{sub 2}{Fe, Co}Si{sub 2}, the Tb{sub 2}FeSi{sub 2} and {Tb–Er}{sub 2}CoSi{sub 2} compounds exhibit remarkable hysteresis (for e.g. Tb{sub 2}FeSi{sub 2} shows residual magnetization M{sub res}/Tb=2.45 μ{sub B}, coercive field H{sub coer}=14.9 kOe, and critical field H{sub crit}~5 kOe at 5 K) possibly due to the magnetocrystalline anisotropy of the rare earth. The R{sub 2}{Fe, Co}Si{sub 2} show relatively small magnetocaloric effect (i.e. isothermal magnetic entropy change, ΔS{sub m}) around the magnetic transition temperature: the maximal value of MCE is demonstrated by Ho{sub 2}CoSi{sub 2} (ΔS{sub m}=−8.1 J/kg K at 72 K and ΔS{sub m}=−9.4 J/kg K at 23 K in field change of 50 kOe) and Er{sub 2}CoSi{sub 2} (ΔS{sub m}=−13.6 J/kg K at 32 K and ΔS{sub m}=−8.4 J/kg K at 12 K in field change of 50 kOe). - Highlights: • {Gd–Er}{sub 2}{Fe, Co}Si{sub 2} show high-temperature ferromagnetic-type transitions. • {Gd–Er}{sub 2}{Fe, Co}Si{sub 2} show low-temperature spin-reorientation transitions. • Tb{sub 2}FeSi{sub 2} and {Tb–Er}{sub 2}CoSi{sub 2} compounds exhibit low-temperature hysteresis. • Tb{sub 2}FeSi{sub 2} shows M{sub res}/Tb=2.45 μ{sub B}, H{sub coer}=14.9 kOe and H{sub crit} ~5 kOe at 5 K • Considerable magnetocaloric effect is exhibited by Ho{sub 2}CoSi{sub 2} and Er{sub 2}CoSi{sub 2}.

Photocatalytic Degradation of Rhodamine B Dye over Novel Porous TiO2-SnO2 Nanocomposites Prepared by Hydrothermal Method

Directory of Open Access Journals (Sweden)

Yan Wang

2014-01-01

Full Text Available The photocatalytic degradation of Rhodamine B dye was successfully carried out under UV irradiation over porous TiO2-SnO2 nanocomposites with various molar ratios of Ti/Sn (4–12 synthesized by hydrothermal method using polystyrene microspheres as template. The combination of TiO2 with SnO2 can obtain high quantum yield of TiO2, and then achieve the high photocatalytic activity. And its porous structure can provide large surface area, leading to more adsorption and fast transfer of dye pollutant. Structural and textural features of the samples were investigated by X-ray diffraction (XRD, transmission electron microscopy (TEM, and N2 sorption techniques. Both adsorption and UV irradiation contribute to decolorization of about 100% of Rhodamine B dye over the sample TiSn10 after 30 min of the photocatalytic reaction, while the decomposition of Rhodamine B dye is only 62% over pure titania (Degussa P25.

Itinerant ferromagnetism in fermionic systems with SP (2 N) symmetry

Science.gov (United States)

Yang, Wang; Wu, Congjun

The Ginzburg-Landau free energy of systems with SP (2 N) symmetry describes a second order phase transition on the mean field level, since the Casimir invariants of the SP (2 N) group can be only of even order combinations of the generators of the SP (2 N) group. This is in contrast with systems having the SU (N) symmetry, where the allowance of cubic term generally makes the phase transition into first order. In this work, we consider the Hertz-Millis type itinerant ferromagnetism in an interacting fermionic system with SP (2 N) symmetry, where the ferromagnetic orders are enriched by the multi-component nature of the system. The quantum criticality is discussed near the second order phase transition point.

The atomic structure of low-index surfaces of the intermetallic compound InPd

Energy Technology Data Exchange (ETDEWEB)

McGuirk, G. M.; Ledieu, J.; Gaudry, É.; Weerd, M.-C.; Fournée, V. de, E-mail: vincent.fournee@univ-lorraine.fr [Institut Jean Lamour (UMR 7198 CNRS-Université de Lorraine), Parc de Saurupt, F-54011 Nancy Cedex (France); Hahne, M.; Gille, P. [Department of Earth and Environmental Sciences, Crystallography Section, Ludwig-Maximilians-Universität München, Theresienstrasse 41, D-80333 München (Germany); Ivarsson, D. C. A.; Armbrüster, M. [Faculty of Natural Sciences, Institute of Chemistry, Materials for Innovative Energy Concepts, Technische Universität Chemnitz, D-09107 Chemnitz (Germany); Ardini, J.; Held, G. [Department of Chemistry, University of Reading, Reading RG6 6AD (United Kingdom); Diamond Light Source Ltd, Didcot OX11 0DE (United Kingdom); Maccherozzi, F. [Diamond Light Source Ltd, Didcot OX11 0DE (United Kingdom); Bayer, A. [Lehrstuhl für Physikalische Chemie II, Universität Erlangen-Nürnberg, Egerlandstraße 3, D-91058 Erlangen (Germany); Lowe, M. [Surface Science Research Centre and Department of Physics, The University of Liverpool, Liverpool L69 3BX (United Kingdom); Pussi, K. [Department of Mathematics and Physics, Lappeenranta University of Technology, P.O. Box 20, FIN-53851 Lappeenranta (Finland); Diehl, R. D. [Department of Physics, Penn State University, University Park, Pennsylvania 16802 (United States)

2015-08-21

The intermetallic compound InPd (CsCl type of crystal structure with a broad compositional range) is considered as a candidate catalyst for the steam reforming of methanol. Single crystals of this phase have been grown to study the structure of its three low-index surfaces under ultra-high vacuum conditions, using low energy electron diffraction (LEED), X-ray photoemission spectroscopy (XPS), and scanning tunneling microscopy (STM). During surface preparation, preferential sputtering leads to a depletion of In within the top few layers for all three surfaces. The near-surface regions remain slightly Pd-rich until annealing to ∼580 K. A transition occurs between 580 and 660 K where In segregates towards the surface and the near-surface regions become slightly In-rich above ∼660 K. This transition is accompanied by a sharpening of LEED patterns and formation of flat step-terrace morphology, as observed by STM. Several superstructures have been identified for the different surfaces associated with this process. Annealing to higher temperatures (≥750 K) leads to faceting via thermal etching as shown for the (110) surface, with a bulk In composition close to the In-rich limit of the existence domain of the cubic phase. The Pd-rich InPd(111) is found to be consistent with a Pd-terminated bulk truncation model as shown by dynamical LEED analysis while, after annealing at higher temperature, the In-rich InPd(111) is consistent with an In-terminated bulk truncation, in agreement with density functional theory (DFT) calculations of the relative surface energies. More complex surface structures are observed for the (100) surface. Additionally, individual grains of a polycrystalline sample are characterized by micro-spot XPS and LEED as well as low-energy electron microscopy. Results from both individual grains and “global” measurements are interpreted based on comparison to our single crystals findings, DFT calculations and previous literature.

NaPdPS{sub 4} and RbPdPS{sub 4}: systems with infinite straight ((1)/({infinity}))[PdPS{sub 4}]{sup -} chains soluble in polar solvents and the structure of cubic RbPdPS{sub 4}{l_brace}Rb{sub 0.33}P{sub 0.4}S{sub 2.23}O{sub x}{r_brace}

Energy Technology Data Exchange (ETDEWEB)

Coste, Servane; Hanko, Jason; Bujoli-Doeuff, Martine; Louarn, Guy; Evain, Michel; Brec, Raymond; Alonso, Bruno; Jobic, S; Kanatzidis, Mercouri G

2003-11-01

The synthesis, crystal structures, chemical and spectroscopic properties of NaPdPS{sub 4}, RbPdPS{sub 4}, and RbPdPS{sub 4}{l_brace}Rb{sub 0.33}P{sub 0.4}S{sub 2.23}O{sub x}{r_brace} are described. NaPdPS{sub 4}, RbPdPS{sub 4}, are isostructural and crystallize in the tetragonal system I4/mcm with cell parameters a=7.3074(8) A, c=12.2308(14) A and a=8.2954(3) A, c=12.2284(4) A respectively. RbPdPS{sub 4}{l_brace}Rb{sub 0.33}P{sub 0.4}S{sub 2.23}O{sub x}{r_brace} is cubic, space group Pm-3n and a=12.0042(2) A. All compounds contain the same ((1)/({infinity}))[PdPS{sub 4}]{sup -} chains made of alternating square planar Pd{sup 2+} cations and tetrahedral [PS{sub 4}]{sup 3-} anions. RbPdPS{sub 4}{l_brace}Rb{sub 0.33}P{sub 0.4}S{sub 2.23}O{sub x}{r_brace} contains co-crystallized highly disordered molecular species encapsulated within [Rb{sub 8}] cubic cavities. Spectroscopic solid state {sup 31}P NMR, infrared and Raman data as well as elemental analysis suggest that these species could be S{sub n}{sup 2-} (n=3 or 4) anions and possibly cationic [P{sub 4}S{sub 6}O]{sup 6+} fragments. NaPdPS{sub 4} and RbPdPS{sub 4} exhibit exfoliative dissolution in polar solvents giving rise to solutions that show signs of complex fluid behavior.

Magnetic behaviour of new Ce compounds

Energy Technology Data Exchange (ETDEWEB)

Sampathkumaran, E V [Tata Inst. of Fundamental Research, Bombay (India); Mallik, R [Tata Inst. of Fundamental Research, Bombay (India)

1996-07-01

We report initial results of our investigation on the magnetic behaviour of some new Ce compounds. The compounds, CeIr{sub 2}B{sub 2}C and CeIr{sub 2}Ge{sub 2}, do not appear to exhibit bulk magnetic ordering down to 2 K. The alloys, Ce{sub 2}Pd{sub 2}In and Ce{sub 2}Cu{sub 2}In, order magnetically below 4 and 6 K, respectively, and a marginal change in the Pd(Cu)/In composition does not significantly influence the ordering temperatures. (orig.).

Orthorhombic Ti2O3: A Polymorph-Dependent Narrow-Bandgap Ferromagnetic Oxide

KAUST Repository

Li, Yangyang

2017-12-16

Magnetic semiconductors are highly sought in spintronics, which allow not only the control of charge carriers like in traditional electronics, but also the control of spin states. However, almost all known magnetic semiconductors are featured with bandgaps larger than 1 eV, which limits their applications in long-wavelength regimes. In this work, the discovery of orthorhombic-structured Ti2O3 films is reported as a unique narrow-bandgap (≈0.1 eV) ferromagnetic oxide semiconductor. In contrast, the well-known corundum-structured Ti2O3 polymorph has an antiferromagnetic ground state. This comprehensive study on epitaxial Ti2O3 thin films reveals strong correlations between structure, electrical, and magnetic properties. The new orthorhombic Ti2O3 polymorph is found to be n-type with a very high electron concentration, while the bulk-type trigonal-structured Ti2O3 is p-type. More interestingly, in contrast to the antiferromagnetic ground state of trigonal bulk Ti2O3, unexpected ferromagnetism with a transition temperature well above room temperature is observed in the orthorhombic Ti2O3, which is confirmed by X-ray magnetic circular dichroism measurements. Using first-principles calculations, the ferromagnetism is attributed to a particular type of oxygen vacancies in the orthorhombic Ti2O3. The room-temperature ferromagnetism observed in orthorhombic-structured Ti2O3, demonstrates a new route toward controlling magnetism in epitaxial oxide films through selective stabilization of polymorph phases.

Orthorhombic Ti2O3: A Polymorph-Dependent Narrow-Bandgap Ferromagnetic Oxide

KAUST Repository

Li, Yangyang; Weng, Yakui; Yin, Xinmao; Yu, Xiaojiang; Sarath Kumar, S. R.; Wehbe, Nimer; Wu, Haijun; Alshareef, Husam N.; Pennycook, Stephen J.; Breese, Mark B. H.; Chen, Jingsheng; Dong, Shuai; Wu, Tao

2017-01-01

Magnetic semiconductors are highly sought in spintronics, which allow not only the control of charge carriers like in traditional electronics, but also the control of spin states. However, almost all known magnetic semiconductors are featured with bandgaps larger than 1 eV, which limits their applications in long-wavelength regimes. In this work, the discovery of orthorhombic-structured Ti2O3 films is reported as a unique narrow-bandgap (≈0.1 eV) ferromagnetic oxide semiconductor. In contrast, the well-known corundum-structured Ti2O3 polymorph has an antiferromagnetic ground state. This comprehensive study on epitaxial Ti2O3 thin films reveals strong correlations between structure, electrical, and magnetic properties. The new orthorhombic Ti2O3 polymorph is found to be n-type with a very high electron concentration, while the bulk-type trigonal-structured Ti2O3 is p-type. More interestingly, in contrast to the antiferromagnetic ground state of trigonal bulk Ti2O3, unexpected ferromagnetism with a transition temperature well above room temperature is observed in the orthorhombic Ti2O3, which is confirmed by X-ray magnetic circular dichroism measurements. Using first-principles calculations, the ferromagnetism is attributed to a particular type of oxygen vacancies in the orthorhombic Ti2O3. The room-temperature ferromagnetism observed in orthorhombic-structured Ti2O3, demonstrates a new route toward controlling magnetism in epitaxial oxide films through selective stabilization of polymorph phases.

Large magnetocaloric effect of GdNiAl{sub 2} compound

Energy Technology Data Exchange (ETDEWEB)

Dembele, S.N.; Ma, Z.; Shang, Y.F. [School of Physical Electronics, University of Electronic Science and Technology of China, Chengdu 610054 (China); Fu, H., E-mail: fuhao@uestc.edu.cn [School of Physical Electronics, University of Electronic Science and Technology of China, Chengdu 610054 (China); Balfour, E.A. [School of Physical Electronics, University of Electronic Science and Technology of China, Chengdu 610054 (China); Hadimani, R.L.; Jiles, D.C. [Department of Electrical and Computer Engineering, Iowa State University, Ames, IA 50011 (United States); Ames Laboratory, US Department of Energy, Ames, IA 50011 (United States); Teng, B.H.; Luo, Y. [School of Physical Electronics, University of Electronic Science and Technology of China, Chengdu 610054 (China)

2015-10-01

This paper presents the structure, magnetic properties, and magnetocaloric effect of the polycrystalline compound GdNiAl{sub 2}. Powder X-ray diffraction (XRD) measurement and Rietveld refinement revealed that GdNiAl{sub 2} alloy is CuMgAl{sub 2}-type phase structure with about 1 wt% GdNi{sub 2}Al{sub 3} secondary phase. Magnetic measurements suggest that the compound is ferromagnetic and undergoes a second-order phase transition near 28 K. The maximum value of magnetic entropy change reaches 16.0 J/kg K for an applied magnetic field change of 0–50 kOe and the relative cooling power was 6.4×10{sup 2} J/kg. It is a promising candidate as a magnetocaloric material working near liquid hydrogen temperature (~20 K) exhibiting large relative cooling power. - Highlights: • Preferred orientation with axis of [010] was found in the GdNiAl{sub 2} compound. • The ΔS{sub Mmax} and the RCP are 16.0 J/kg K and 640 J/kg, respectively, for ΔH=50 kOe. • Relative low rare earth content in GdNiAl{sub 2} comparing with other candidates.

Fe-moment instability in Ti{sub 1-x}Sc{sub x}Fe{sub 2} Laves-phase compounds

Energy Technology Data Exchange (ETDEWEB)

Ouladdiaf, B. [Institut Laue-Langevin, BP 156, 38042 GRENOBLE Cedex 09 (France); Deportes, J. [Lab. Louis Neel, CNRS, BP 166, 38042 GRENOBLE Cedex 09 (France); Saoudi, M. [Centre Universitaire de Guelma, GUELMA 24 000 (Algeria)

2002-07-01

The magnetic properties of the pseudo-binary Laves-phase compounds Ti{sub 1-x}Sc{sub x}Fe{sub 2} were investigated by means of magnetisation and high-resolution powder neutron diffraction techniques. For x<0.2 a transition from an antiferromagnetic state to a canted one with a ferromagnetic component in the basal plane is observed, while for 0.2ferromagnetic state along the c-axis to a canted one. For x{proportional_to}0.3, an additional first-order transition is observed at low temperature accompanied by a large magnetovolume anomaly due to the increase of the intrinsic moment of the Fe atoms at the 2a site. (orig.)

Preparation of Mn doped CeO_2 nanoparticles with enhanced ferromagnetism

International Nuclear Information System (INIS)

Ravi, S.; Winfred Shashikanth, F.

2017-01-01

Spherical-like CeO_2 and Mn-doped CeO_2 using 6-aminohexanoic acid as surfactant exhibit enhanced ferromagnetism. The optical absorption spectra reveal a red shift with a band gap of 2.51 eV. The mechanics of ferromagnetism and the red shift were analyzed. These results provide a promising platform for developing a dilute magnetic semiconductor in spintronics. - Highlights: • Pure and Mn-doped CeO_2 is prepared with aminohexanoic acid as capping. • They exhibit wide optical absorption with red-shift in their band gap. • Mn-doped CeO_2 nanoparticle exhibit hysteresis at room temperature. • Results were promising to use in spintronics and opto-electronics field.

Room temperature ferromagnetism in nano-crystalline Co:ThO2 powders

International Nuclear Information System (INIS)

Bhide, M.K.; Kadam, R.M.; Godbole, S.V.; Tyagi, A.K.; Salunke, H.G.

2012-01-01

The major interest in dilute magnetic semiconductors (DMS's) had been directed towards the synthesis of room temperature ferromagnetic (RTF) materials for their potential applications in spintronic devices. Room temperature (RT) ferromagnetism was initially reported in Co doped TiO 2 , ZnO 2 and SnO 2 thin films and in the recent past in transition metal doped wide band gap materials. In the present paper we report the synthesis of Co doped ThO 2 nano powders by urea combustion method. The XRD characterization of 300℃ annealed samples confirmed formation of ThO 2 in the cubic phase and the average crystallite size obtained using Scherrer's formula was around 6 nm

Synthesis of PdO/MCM-41 nanocomposites using trans-[PdCl2(PEt3)2] as the source of metal

International Nuclear Information System (INIS)

Hernandez-Pineda, Jessica; Rio, Jose Manuel del; Carreto, Enrique; Terres, Eduardo; Montoya, J. Asencion; Zuniga-Gonzalez, Maria de Jesus; Morgado, Jorge

2009-01-01

Three PdO/MCM-41 nanocomposites containing PdO species that are dispersed on an MCM-41 support have been prepared using trans-[PdCl 2 (PEt 3 ) 2 ] as the source of metal. Thermal gravimetric analysis of the decomposition of this complex in air reveals a remarkable mass loss of all nonmetallic elements centered at 300 deg. C. The materials were characterized with X-ray powder diffraction (XRPD), nitrogen sorption and TEM, which showed that the PdO nanoparticles were present inside the pores of MCM-41. XRPD analysis confirms formation of PdO (palladinite) nanocrystals, as the sole crystalline phase present in the nanocomposites.

Rise and fall of ferromagnetism in O-irradiated Al{sub 2}O{sub 3} single crystals

Energy Technology Data Exchange (ETDEWEB)

Li, Qiang [State Key Laboratory of Particle Detection and Electronics, University of Science and Technology of China, Hefei 230026 (China); China Spallation Neutron Source, Institute of High Energy Physics, Chinese Academy of Sciences, Dongguan 523803 (China); Xu, Juping; Liu, Jiandang; Du, Huaijiang; Ye, Bangjiao, E-mail: bjye@ustc.edu.cn [State Key Laboratory of Particle Detection and Electronics, University of Science and Technology of China, Hefei 230026 (China)

2015-06-21

In dilute magnetic semiconductors studies, sapphire was usually used as non-magnetic substrate for films. We observed weak ferromagnetic component in Al{sub 2}O{sub 3} single crystal substrate, and excluded the possibility of ferromagnetic contaminations carefully by inductively coupled plasma mass spectrometry and X-ray photoelectron spectroscopy. The ferromagnetism rise and fall during the process of annealing-oxygen irradiation-annealing of the sapphire. The ferromagnetic changes are consistent with Al-vacancy related defects detected by positron annihilation spectroscopy. With first-principle calculations, we confirm that Al-vacancy can introduce magnetic moment for 3 μB in Al{sub 2}O{sub 3} crystal and form stable V{sub Al}-V{sub Al} ferromagnetic coupling at room temperature.

Ultra-high resistive and anisotropic CoPd-CaF2 nanogranular soft magnetic films prepared by tandem-sputtering deposition

Science.gov (United States)

Naoe, Masayuki; Kobayashi, Nobukiyo; Ohnuma, Shigehiro; Iwasa, Tadayoshi; Arai, Ken-Ichi; Masumoto, Hiroshi

2015-10-01

Ultra-high resistive and anisotropic soft magnetic films for gigahertz applications are desirable to demonstrate the really practical films. Here we present a study of novel nanogranular films fabricated by tandem-sputtering deposition. Their electromagnetic properties and nanostructure have also been discussed. These films consisted of nanocrystallized CoPd alloy-granules and CaF2 matrix, and a specimen having a composition of (Co0.69Pd0.31)52-(Ca0.31F0.69)48 exhibited distinct in-plane uniaxial anisotropy after uniaxial field annealing with granule growth. Its complex permeability spectra have a ferromagnetic resonance frequency extending to the Super-High-Frequency band due to its higher anisotropy field, and its frequency response was quite well reproduced by a numerical calculation based on the Landau-Lifshitz-Gilbert equation. Furthermore, it was clarified that the CaF2-based nanogranular film exhibits a hundredfold higher electrical resistivity than conventional oxide or nitride-based films. Higher resistivity enables the film thickness to achieve a margin exceeding threefold against eddy current loss. The greater resistivity of nanogranular films is attributed to the wide energy bandgap and superior crystallinity of CaF2 matrix.

Antiferromagnetic Nd ordering in NdPd{sub 2}Ga{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Doenni, A.; Fischer, P.; Fauth, F.; Zolliker, M. [Paul Scherrer Inst. (PSI), Villigen (Switzerland); Bauer, E. [Technische Univ., Vienna (Austria)

1997-09-01

The ternary intermetallic compound NdPd{sub 2}Ga{sub 3} was investigated by powder neutron diffraction: the crystal structure agrees well with the ordered hexagonal PrNi{sub 2}Al{sub 3}-type structure. The antiferromagnetic ordering below T{sub N} 6.5 K corresponds to a propagation vector k = [1/2,0,0]. The ordered magnetic Nd moments of (1.99 {+-} 0.04) {mu}{sub B} at saturation lie in the basal plane due to the crystal-electric field anisotropy and are oriented perpendicular to the propagation vector. (author) 1 fig., 1 tab., 2 refs.

Anisotropic magnetic phase diagram of Kondo-Lattice compound Ce3Pd20Ge6 with quadrupolar ordering

International Nuclear Information System (INIS)

Kitagawa, Jiro; Takeda, Naoya; Ishikawa, Masayasu; Yoshida, Toshiya; Ishiguro, Akiko; Kimura, Noriaki; Komatsubara, Takemi

1999-01-01

We have measured the specific heat and the electrical resistivity of Ce 3 Pd 20 Ge 6 in magnetic fields up to 4T applied along three principal directions. The compound shows the large negative magnetoresistance in the quadrupolar phase. The coefficient of the electronic specific heat and T 2 -coefficient of the electrical resistivity are considerably reduced at 4T. The magnetic phase diagram constructed from these measurements suggests the existence of a highly anisotropic interaction between the electric quadrupolar moments and the magnetic dipolar moments. (author)

A close correlation between induced ferromagnetism and oxygen deficiency in Fe doped In2O3

International Nuclear Information System (INIS)

Singhal, R.K.; Samariya, A.; Kumar, Sudhish; Sharma, S.C.; Xing, Y.T.; Deshpande, U.P.; Shripathi, T.; Saitovitch, E.

2010-01-01

We report on the reversible manipulation of room temperature ferromagnetism in Fe (5%) doped In 2 O 3 polycrystalline magnetic semiconductor. The X-ray diffraction and photoemission measurements confirm that the Fe ions are well incorporated into the lattice, substituting the In 3+ ions. The magnetization measurements show that the host In 2 O 3 has a diamagnetic ground state, while it shows weak ferromagnetism at 300 K upon Fe doping. The as-prepared sample was then sequentially annealed in hydrogen, air, vacuum and finally in air. The ferromagnetic signal shoots up by hydrogenation as well as vacuum annealing and bounces back upon re-annealing the samples in air. The sequence of ferromagnetism shows a close inter-relationship with the behavior of oxygen vacancies (V o ). The Fe ions tend to a transform from 3+ to 2+ state during the giant ferromagnetic induction, as revealed by photoemission spectroscopy. A careful characterization of the structure, purity, magnetic, and transport properties confirms that the ferromagnetism is due to neither impurities nor clusters but directly related to the oxygen vacancies. The ferromagnetism can be reversibly controlled by these vacancies while a parallel variation of carrier concentration, as revealed by resistance measurements, appears to be a side effect of the oxygen vacancy variation.

Behaviour of Au(I,III) cyanides on anion exchangers in the presence of Pd compounds

International Nuclear Information System (INIS)

Knothe, M.

1985-01-01

The behaviour of low concentrations of [Au(I)(CN) 2 ] - and [Au(III)(CN) 4 ] - in the presence of [Pd(NH 3 ) 4 ](NO 3 ) 2 when adsorbed by anionites has been studied with the aid of labelled Au compounds. The adsorption rate of Au decreased with increasing ageing of the feed solution, which was due to the conversion of gold cyanides into species not capable of being adsorbed. This conversion proceeded at a considerably lower rate when the cyanides of gold had been fixed on the ionite. Au(I) cyanides were always converted at a higher rate than Au(III) cyanides. Thus, an effective separation of Au cyanides by anionites is possible only in the Au(III) system. (author)

SrFe1‑xMoxO2+δ : parasitic ferromagnetism in an infinite-layer iron oxide with defect structures induced by interlayer oxygen

Science.gov (United States)

Guo, Jianhui; Shi, Lei; Zhao, Jiyin; Wang, Yang; Yuan, Xueyou; Li, Yang; Wu, Liang

2018-04-01

The recent discovered compound SrFeO2 is an infinite-layer-structure iron oxide with unusual square-planar coordination of Fe2+ ions. In this study, SrFe1‑xMoxO2+δ (x parasitic ferromagnetism of the compound and its relationship to the defect structures are investigated. It is found that substitution of high-valent Mo6+ for Fe2+ results in excess oxygen anions O2‑ inserted at the interlayer sites for charge compensation, which further causes large atomic displacements along the c-axis. Due to the robust but flexible Fe-O-Fe framework, the samples are well crystallized within the ab-plane, but are significantly poorer crystallized along the c-axis. Defect structures including local lattice distortions and edge dislocations responsible for the lowered crystallinity are observed by high resolution transmission electron microscopy. Both the magnetic measurements and electron spin resonance spectra provide the evidence of a parasitic ferromagnetism (FM). The week FM interaction originated from the imperfect antiferromagnetic (AFM) ordering could be ascribed to the introduction of uncompensated magnetic moments due to substitution of Mo6+ (S = 0) for Fe2+ (S = 2) and the canted/frustrated spins resulted from defect structures.

Conductance spectra of asymmetric ferromagnet/ferromagnet/ferromagnet junctions

Science.gov (United States)

Pasanai, K.

2017-01-01

A theory of tunneling spectroscopy of ferromagnet/ferromagnet/ferromagnet junctions was studied. We applied a delta-functional approximation for the interface scattering properties under a one-dimensional system of a free electron approach. The reflection and transmission probabilities were calculated in the ballistic regime, and the conductance spectra were then calculated using the Landauer formulation. The magnetization directions were set to be either parallel (P) or anti-parallel (AP) alignments, for comparison. We found that the conductance spectra was suppressed when increasing the interfacial scattering at the interfaces. Moreover, the electron could exhibit direct transmission when the thickness was rather thin. Thus, there was no oscillation in this case. However, in the case of a thick layer the conductance spectra oscillated, and this oscillation was most prominent when the middle layer thickness increased. In the case of direct transmission, the conductance spectra of P and AP systems were definitely suppressed with increased exchange energy of the middle ferromagnet. This also refers to an increase in the magnetoresistance of the junction. In the case of oscillatory behavior, the positions of the resonance peaks were changed as the exchange energy was changed.

Thermodynamics of the frustrated ferromagnetic spin-1/2 Heisenberg chain

International Nuclear Information System (INIS)

Richter, J; Haertel, M; Ihle, D; Drechsler, S-L

2009-01-01

We studied the thermodynamics of the one-dimensional J 1 -J 2 spin-1/2 Heisenberg chain for ferromagnetic nearest-neighbor bonds J 1 2 > 0 using full diagonalization of finite rings and a second-order Green-function formalism. Thereby we focus on J 2 1 |/4 where the ground state is still ferromagnetic, but the frustration influences the thermodynamic properties. We found that their critical indices are not changed by J 2 . The analysis of the low-temperature behavior of the susceptibility χ leads to the conclusion that this behavior changes from χ ∝ T -2 at J 2 1 |/4 to χ ∝ T -3/2 at the quantum-critical point J 2 = |J 1 |/4. Another effect of the frustration is the appearance of an extra low-T maximum in the specific heat C v (T) for J 2 and |J 1 |/8, indicating its strong influence on the low-energy spectrum.

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.

Jahn-Teller effect and ferromagnetic ordering in La0.875Sr0.125MnO3: A reentrant behaviour

International Nuclear Information System (INIS)

Pinsard, L.; Revcolevschi, A.; Anane, A.; Dupas, C.

1997-01-01

The compound La 0.875 Sr 0.125 MnO 3 undergoes a series of structural phase transitions in which different physical effects are involved. The compound is rhombohedral above T RO ∝400 K. On cooling, a phase transition to an orthorhombic Pbnm O-phase takes place at T RO , no significant orbital ordering is observed. At T OO' ∝270 K a structural phase transition to another orthorhombic (O') form takes place, and an orbital ordering appears due to a cooperative JT effect. For this temperature range the compound is a paramagnetic semiconductor. Upon cooling it becomes ferromagnetic at T C ∝180 K and the orbital ordering is partially suppressed. Below a temperature T O'O '' ∝150 K at which the average Mn magnetic moment is about 2μ B the orbital ordering is completely suppressed by a first order structural transition to another orthorhombic phase (O '' ) similar to the O-phase. Between T C and T O'O '' the compound is metallic and becomes a ferromagnetic insulator below T O'O '' where a canting of the ferromagnetic order appears. (orig.)

Density-functional study on the robust ferromagnetism in rare-earth element Yb-doped SnO{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Zhang, Kai-Cheng, E-mail: kczhang@yeah.net [College of Mathematics and Physics, Bohai University, Jinzhou 121013 (China); Li, Yong-Feng [Key Laboratory of Integrated Exploitation of Bayan Obo Multi-Metal ResourcesInner Mongolia University of Science and Technology, Baotou 014010 (China); School of Mathematics, Physics and Biological Engineering, Inner Mongolia University of Science and Technology, Baotou 014010 (China); Liu, Yong [State Key Laboratory of Metastable Materials Science and Technology and College of Science, Yanshan University, Qinhuangdao, Hebei 066004 (China); Chi, Feng [College of Engineering, Bohai University, Jinzhou 121013 (China)

2014-06-01

So far, little has been known about the ferromagnetism induced by p–f hybridization. We investigate the magnetic properties of Yb-doped SnO{sub 2} by first-principles calculations. We find that the doped system favors the ferromagnetic state and a room-temperature ferromagnetism can be expected in it. The origin of ferromagnetism can be attributed to the p–f hybridization between Yb impurity and its surrounding oxygen atoms. The formation energy of defect complex is calculated and the magnetic mediation of intrinsic vacancies is studied. Our results reveal that the formation energy of the defect complex with Sn vacancy is about 7.3 eV lower in energy than that with oxygen vacancy. This means Sn vacancy is much easier to form than oxygen vacancy in the presence of Yb substitution. The ferromagnetism of the doped system is greatly enhanced in the presence of Sn vacancies. - Highlights: • Room-temperature ferromagnetism can be expected in Yb-doped SnO{sub 2}. • The origin of ferromagnetism can be attributed to the p–f hybridization between Yb and O atoms. • Oxygen vacancies are much hard to form and contribute little to the ferromagnetism. • Sn vacancies are easy to form under oxygen-rich condition and stabilize the ferromagnetism effectively.

Magnesium and cadmium in covalently-bonded Lonsdaleite networks: Synthesis, structure, and conding of AETMg{sub 2} and SrTCd{sub 2} (AE = Ca, Sr; T = Pd, Ag, Pt, Au)

Energy Technology Data Exchange (ETDEWEB)

Kersting, Marcel; Johnscher, Michael; Poettgen, Rainer [Institut fuer Anorganische und Analytische Chemie, Universitaet Muenster, Corrensstrasse 30, 48149 Muenster (Germany); Matar, Samir F. [Universite Bordeaux, ICMCB, UPR 9048, 33600 Pessac (France)

2013-04-15

The alkaline earth metal compounds AETMg{sub 2} and AETCd{sub 2} (AE = Ca, Sr; T = Pd, Ag, Pt, Au) were synthesized by induction-melting (or in muffle furnaces) of the elements in sealed niobium ampoules. The new phases were characterized by powder X-ray diffraction. The structures of SrPdMg{sub 2} and SrPdCd{sub 2} were investigated by X-ray diffraction on single crystals: MgCuAl{sub 2} type, Cmcm, a = 436.42(4), b = 1130.1(1), c = 820.54(7) pm, wR{sub 2} = 0.0115, 511 F{sup 2} values for SrPdMg{sub 2} and a = 443.5(2), b = 1063.0(2), c = 810.2(2) pm, wR{sub 2} = 0.0296, 386 F{sup 2} values for SrPdCd{sub 2} with 16 variables for each refinement. The magnesium and cadmium atoms build up [TMg{sub 2}] and [TCd{sub 2}] polyanionic networks, which leave cavities for the calcium and strontium atoms. The bonding variations within the polyanions, which are mainly influenced by the length of the b axis are discussed. Ab initio calculations of electronic structure, charge densities, and chemical bonding, characterize SrPdMg{sub 2} with a larger cohesive energy than SrPdCd{sub 2}. This is illustrated by larger bonding Pd-Mg interactions, opposite to compensating Pd-Cd between bonding and antibonding states. (Copyright copyright 2013 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Ab initio study of the structural, electronic, elastic and thermal properties of RMn{sub 2}Ge{sub 2} (R = Ca, Nd and Y) intermetallic compounds

Energy Technology Data Exchange (ETDEWEB)

Miloud Abid, O.; Yakoubi, A. [Laboratoire d’Etudes des Matériaux et Instrumentations Expérimentales, Université Djilali Liabes de Sidi Bel-Abbes, 22000 (Algeria); Tadjer, A. [Modeling and Simulation in Materials Science Laboratory, Physics Department, University of Sidi Bel-Abbes, Sidi Bel-Abbes (Algeria); Khenata, R., E-mail: khenata_rabah@yahoo.fr [Laboratoire de Physique Quantique de la Modélisation Mathématique (LPQ3M), Université de Mascara, 29000 (Algeria); Ahmed, R. [Department of Physics, Faculty of Science, Universiti Teknologi Malaysia, UTM Skudai, 81310 Johor (Malaysia); Murtaza, G. [Materials Modeling Laboratory, Department of Physics, Islamia College University, Peshawar (Pakistan); Bin Omran, S. [Department of Physics and Astronomy, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451 (Saudi Arabia); Azam, Sikander [New Technologies – Research Center, University of West Bohemia, Univerzitni 8, 306 14 Pilsen (Czech Republic)

2014-12-15

Highlights: • The calculated structural parameters of RMn{sub 2}Ge{sub 2} (R = Ca, Nd and Y) compounds are found in good agreement with the experimental data. • The structural and band structure calculation reveals that these compounds are ferromagnetic brittle metals. • The elastic and thermodynamic properties for the herein studied compounds are investigated for the first time. - Abstract: Intermetallic RMn{sub 2}Ge{sub 2} ternary compounds have attracted considerable attention from researchers in recent years because they show strong indications for novel magnetic characteristics and they have the potential to reveal the mechanism of superlattices. The study of the paramagnetic, ferromagnetic and antiferromagnetic phases affirms the strong dependence to the distance between atomic species in these compounds. In this study, we investigated the structural, elastic, electronic and thermodynamic properties of the intermetallic RMn{sub 2}Ge{sub 2} (R = Ca, Nd and Y) compounds. To carry out this study, we used the full potential (FP) linearized (L) augmented plane wave plus local orbitals (APW + lo), a scheme of calculations developed within the frame work of density functional theory (DFT). To incorporate the exchange correlation (XC) energy and corresponding potential into the total energy calculations, local density approximation (LDA) parameterized by Perdew and Wang is taken into account. Analysis of the density of states (DOS) profile illustrates the conducting nature of these intermetallic compounds; with a predominantly contribution from the R and Mn-d states. At ambient conditions, calculations for elastic constants (C{sub 11}, C{sub 12}, C{sub 13}, C{sub 44}, C{sub 33} and C{sub 66}) are also performed, which point to their brittle character. In addition, the quasi harmonic Debye model was used to predict the thermal properties, together with relative expansion coefficients and heat capacity.

Magnetism, structure and chemical order in small CoPd clusters: A first-principles study

Energy Technology Data Exchange (ETDEWEB)

Mokkath, Junais Habeeb, E-mail: Junais.Mokkath@kaust.edu.sa

2014-01-15

The structural, electronic and magnetic properties of small Co{sub m}Pd{sub n}(N=m+n=8,m=0−N) nanoalloy clusters are studied in the framework of a generalized-gradient approximation to density-functional theory. The optimized cluster structures have a clear tendency to maximize the number of nearest-neighbor CoCo pairs. The magnetic order is found to be ferromagnetic-like (FM) for all the ground-state structures. Antiferromagnetic-like spin arrangements were found in some low-lying isomers. The average magnetic moment per atom μ{sup ¯}{sub N} increases approximately linearly with Co content. A remarkable enhancement of the local Co moments is observed as a result of Pd doping. This is a consequence of the increase in the number of Co d holes, due to CoPd charge transfer, combined with the reduced local coordination. The influence of spin–orbit interactions on the cluster properties is also discussed. - Highlights: • This work analyses the structural and magnetic properties of CoPd nanoclusters. • The magnetic order is found to be ferromagnetic-like for all the ground-state structures. • The average magnetic moment per atom increases approximately linearly with Co content. • The influence of spin–orbit interactions on the cluster properties is discussed.

Development of [103Pd]-labeled-bis(N4-methylthiosemicarbazone) complexes as possible therapeutic agents

International Nuclear Information System (INIS)

Jalilian, A.R.; Sadeghi, M.; Kamrani, Y.Y.

2006-01-01

Due to interesting tumor seeking properties of bis-thiosemicarbazones, two radio palladium-bis-thiosemicarbazone complexes, i.e., [ 103 Pd]-pyruvaldehyde-bis(N 4 -methylthiosemicarbazone) ([ 103 Pd] PTSM) and [ 103 Pd]-diacetyl-bis(N 4 -methylthiosemicarbazone) ([ 103 Pd]ATSM) were prepared according to the analogy of radio copper homologs. Palladium-103 (t 1/2 = 16.96 d) was produced via the 103 Rh(p, n) 103 Pd nuclear reaction with proton energy 18 MeV. The final activity was eluted in form of Pd(NH 3 ) 2 Cl 2 in order to react with bis-thiosemicarbazones to yield [ 103 Pd]-labeled compounds. Chemical purity of the product was confirmed to be below the accepted limits by polarography. [ 103 Pd]-labeled bis-thiosemicarbazones were prepared with a radiochemical yield of more than 80% at room temperature after 60-90 min by vortexing a mixture of thiosemicarbazones and Pd activity in ethanol. The purification of the labeled compounds performed by reverse phase column chromatography using C 18 plus Sep-Pak. Radiochemical purity of more than 99% specific activity of about 12500-13 000 Ci/mol was obtained. The stability of the complexes was checked in final product and presence of human serum at 37 C up to 48 h. The partition co-efficients of the final complexes were determined. The initial physico-chemical properties of the labeled compounds were compared to those of their copper homologues. (orig.)

Targeting immune co-stimulatory effects of PD-L1 and PD-L2 might represent an effective therapeutic strategy in stroke

Directory of Open Access Journals (Sweden)

Sheetal eBodhankar

2014-08-01

Full Text Available Stroke outcome is worsened by the infiltration of inflammatory immune cells into ischemic brains. Our recent study demonstrated that PD-L1- and to a lesser extent PD-L2-deficient mice had smaller brain infarcts and fewer brain-infiltrating cells vs. WT mice, suggesting a pathogenic role for PD-Ligands in experimental stroke. We sought to ascertain PD-L1 and PD-L2-expressing cell types that affect T-cell activation, post-stroke in the context of other known co-stimulatory molecules. Thus, cells from male WT and PD-L-deficient mice undergoing 60 min of middle cerebral artery occlusion (MCAO followed by 96h of reperfusion were treated with neutralizing antibodies to study co-stimulatory and co-inhibitory interactions between CD80, CTLA-4, PD-1 and PD-Ls that regulate CD8+ and CD4+ T-cell activation. We found that antibody neutralization of PD-1 and CTLA-4 signaling post-MCAO resulted in higher proliferation in WT CD8+ and CD4+ T-cells, confirming an inhibitory role of PD-1 and CTLA-4 on T-cell activation. Also, CD80/CD28 interactions played a prominent regulatory role for the CD8+ T-cells and the PD-1/PD-L2 interactions were dominant in controlling the CD4+ T-cell responses in WT mice after stroke. A suppressive phenotype in PD-L1-deficient mice was attributed to CD80/CTLA-4 and PD-1/PD-L2 interactions. PD-L2 was crucial in modulating CD4+ T-cell responses, whereas PD-L1 regulated both CD8+ and CD4+ T-cells. To establish the contribution of PD-L1 and PD-L2 on regulatory B-cells (Bregs, infarct volumes were evaluated in male PD-L1- and PD-L2-deficient mice receiving IL-10+ B-cells 4h post-MCAO. PD-L2- but not PD-L1-deficient recipients of IL-10+ B-cells had markedly reduced infarct volumes, indicating a regulatory role of PD-L2 on Bregs. These results imply that PD-L1 and PD-L2 differentially control induction of T- and Breg-cell responses after MCAO, thus suggesting that selective targeting of PD-L1 and PD-L2 might represent a valuable therapeutic

Active sites and mechanisms for H2O2 decomposition over Pd catalysts

Science.gov (United States)

Plauck, Anthony; Stangland, Eric E.; Dumesic, James A.; Mavrikakis, Manos

2016-01-01

A combination of periodic, self-consistent density functional theory (DFT-GGA-PW91) calculations, reaction kinetics experiments on a SiO2-supported Pd catalyst, and mean-field microkinetic modeling are used to probe key aspects of H2O2 decomposition on Pd in the absence of cofeeding H2. We conclude that both Pd(111) and OH-partially covered Pd(100) surfaces represent the nature of the active site for H2O2 decomposition on the supported Pd catalyst reasonably well. Furthermore, all reaction flux in the closed catalytic cycle is predicted to flow through an O–O bond scission step in either H2O2 or OOH, followed by rapid H-transfer steps to produce the H2O and O2 products. The barrier for O–O bond scission is sensitive to Pd surface structure and is concluded to be the central parameter governing H2O2 decomposition activity. PMID:27006504

Influence of deuterium on the magnetic susceptibility and thermal expansion of the mixed valence compound CePd3

International Nuclear Information System (INIS)

Weinzierl, P.; Blaschko, O.; Fratzl, P.; Krexner, G.; Ernst, G.; Hilscher, G.

1984-01-01

The possibility of studying mixed valent rare earth compounds by addition of interstitially solved hydrogen is discussed. First measurements of the thermal expansion and of the magnetic susceptibility of 4 K in intermediate valent CePd 3 Dsub(0.05) are presented. (orig.) [de

Heterocycles by Transition Metals Catalyzed Intramolecular Cyclization of Acetylene Compounds

International Nuclear Information System (INIS)

Vizer, S.A.; Yerzhanov, K.B.; Dedeshko, E.C.

2003-01-01

Review shows the new strategies in the synthesis of heterocycles, having nitrogen, oxygen and sulfur atoms, via transition metals catalyzed intramolecular cyclization of acetylenic compounds on the data published at the last 30 years, Unsaturated heterocyclic compounds (pyrroles and pyrroline, furans, dihydro furans and benzofurans, indoles and iso-indoles, isoquinolines and isoquinolinones, aurones, iso coumarins and oxazolinone, lactams and lactones with various substitutes in heterocycles) are formed by transition metals, those salts [PdCl 2 , Pd(OAc) 2 , HgCl 2 , Hg(OAc) 2 , Hg(OCOCF 3 ) 2 , AuCl 3 ·2H 2 O, NaAuCl 4 ·2H 2 O, CuI, CuCl], oxides (HgO) and complexes [Pd(OAc) 2 (PPh 3 )2, Pd(PPh 3 ) 4 , PdCl 2 (MeCN) 2 , Pd(OAc ) 2 /TPPTS] catalyzed intramolecular cyclization of acetylenic amines, amides, ethers, alcohols, acids, ketones and βdiketones. More complex hetero polycyclic systems typical for natural alkaloids can to obtain similar. Proposed mechanisms of pyrroles, isoquinolines, iso indoles and indoles, benzofurans and iso coumarins, thiazolopyrimidinones formation are considered. (author)

Oxidation-induced spin reorientation in Co adatoms and CoPd dimers on Ni/Cu(100)

Science.gov (United States)

Chen, K.; Beeck, T.; Fiedler, S.; Baev, I.; Wurth, W.; Martins, M.

2016-04-01

Ultrasmall magnetic clusters and adatoms are of strong current interest because of their possible use in future technological applications. Here, we demonstrate that the magnetic coupling between the adsorbates and the substrate can be significantly changed through oxidation. The magnetic properties of Co adatoms and CoPd dimers deposited on a remanently magnetized Ni/Cu(100) substrate have been investigated by x-ray absorption and x-ray magnetic circular dichroism spectroscopy at the Co L2 ,3 edges. Using spectral differences, pure and oxidized components are distinguished, and their respective magnetic moments are determined. The Co adatoms and the CoPd dimers are coupled ferromagnetically to the substrate, while their oxides, Co-O and CoPd-O, are coupled antiferromagnetically to the substrate. Along with the spin reorientation from the pure to the oxidized state, the magnetic moment of the adatom is highly reduced from Co to Co-O. In contrast, the magnetic moment of the dimer is of similar order for CoPd and CoPd-O.

De Hass-van Alphen and magnetoresistance reveal predominantly single-band transport behavior in PdTe2.

Science.gov (United States)

Wang, Yongjian; Zhang, Jinglei; Zhu, Wenka; Zou, Youming; Xi, Chuanying; Ma, Long; Han, Tao; Yang, Jun; Wang, Jingrong; Xu, Junmin; Zhang, Lei; Pi, Li; Zhang, Changjin; Zhang, Yuheng

2016-08-12

Research on two-dimensional transition metal dichalcogenides (TMDs) has grown rapidly over the past several years, from fundamental studies to the development of next generation technologies. Recently, it has been reported that the MX2-type PdTe2 exhibits superconductivity with topological surface state, making this compound a promising candidate for investigating possible topological superconductivity. However, due to the multi-band feature of most of TMDs, the investigating of magnetoresistance and quantum oscillations of these TMDs proves to be quite complicated. Here we report a combined de Hass-van Alphen effect and magnetoresistance studies on the PdTe2 single crystal. Our high-field de Hass-van Alphen data measured at different temperature and different tilting angle suggest that though these is a well-defined multi-band feature, a predominant oscillation frequency has the largest oscillation magnitude in the fast Fourier transformation spectra, which is at least one order of magnitude larger than other oscillation frequencies. Thus it is likely that the transport behavior in PdTe2 system can be simplified into a single-band model. Meanwhile, the magnetoresistance results of the PdTe2 sample can be well-fitted according to the single-band models. The present results could be important in further investigation of the transport behaviors of two-dimensional TMDs.

Magnetic excitations in ferromagnetic phase of MnP

International Nuclear Information System (INIS)

Yano, Shin-ichiro; Itoh, Shinichi; Yokoo, Tetsuya; Satoh, Setsuo; Kawana, Daichi; Kousaka, Yusuke; Akimitsu, Jun; Endoh, Yasuo

2013-01-01

Inelastic neutron scattering experiments were performed on an intermetallic compound, MnP. We used a newly developed High Resolution Chopper Spectrometer, HRC, for energy transfers E≤75meV, besides various triple axis spectrometers; LTAS for energy transfers E≤2meV, TOPAN for E≤7.5meV and TAS-1 for E≤35meV. Spin wave excitations were observed in the ferromagnetic phase of MnP in the entire Brillouin zone along the a ⁎ - and b ⁎ -axes. The zone boundary energies of spin waves were determined to be around 60 meV along the a ⁎ -axis and around 75 meV along the b ⁎ -axis, and the dispersion relations showed two branches for both axes. The observed dispersion relations of spin waves were well described by an isotropic Heisenberg interaction adding a single ion anisotropy with two sub-lattices. - Highlights: • Inelastic neutron scattering experiments were performed mainly using pulsed neutrons. • Spin waves were observed in the ferromagnetic phase of an intermetallic compound MnP. • The dispersion relations were determined entirely along the a ⁎ - and b ⁎ -axes. • We could describe the observed dispersion relations by a two sub-lattice model

Spin Crossover in Fe(II)-M(II) Cyanoheterobimetallic Frameworks (M = Ni, Pd, Pt) with 2-Substituted Pyrazines.

Science.gov (United States)

Kucheriv, Olesia I; Shylin, Sergii I; Ksenofontov, Vadim; Dechert, Sebastian; Haukka, Matti; Fritsky, Igor O; Gural'skiy, Il'ya A

2016-05-16

Discovery of spin-crossover (SCO) behavior in the family of Fe(II)-based Hofmann clathrates has led to a "new rush" in the field of bistable molecular materials. To date this class of SCO complexes is represented by several dozens of individual compounds, and areas of their potential application steadily increase. Starting from Fe(2+), square planar tetracyanometalates M(II)(CN)4(2-) (M(II) = Ni, Pd, Pt) and 2-substituted pyrazines Xpz (X = Cl, Me, I) as coligands we obtained a series of nine new Hofmann clathrate-like coordination frameworks. X-ray diffraction reveals that in these complexes Fe(II) ion has a pseudo-octahedral coordination environment supported by four μ4-tetracyanometallates forming its equatorial coordination environment. Depending on the nature of X and M, axial positions are occupied by two 2X-pyrazines (X = Cl and M(II) = Ni (1), Pd (2), Pt (3); X = Me and M(II) = Ni (4), Pd (5)) or one 2X-pyrazine and one water molecule (X = I and M(II) = Ni (7), Pd (8), Pt (9)), or, alternatively, two distinct Fe(II) positions with either two pyrazines or two water molecules (X = Me and M(II) = Pt (6)) are observed. Temperature behavior of magnetic susceptibility indicates that all compounds bearing FeN6 units (1-6) display cooperative spin transition, while Fe(II) ions in N5O or N4O2 surrounding are high spin (HS). Structural changes in the nearest Fe(II) environment upon low-spin (LS) to HS transition, which include ca. 10% Fe-N distance increase, lead to the cell expansion. Mössbauer spectroscopy is used to characterize the spin state of all HS, LS, and intermediate phases of 1-9 (see abstract figure). Effects of a pyrazine substituent and M(II) nature on the hyperfine parameters in both spin states are established.

Structure and properties of intermetallic ternary rare earth compounds

International Nuclear Information System (INIS)

Casper, Frederick

2008-01-01

The so called material science is an always growing field in modern research. For the development of new materials not only the experimental characterization but also theoretical calculation of the electronic structure plays an important role. A class of compounds that has attracted a great deal of attention in recent years is known as REME compounds. These compounds are often referred to with RE designating rare earth, actinide or an element from group 1-4, M representing a late transition metal from groups 8-12, and E belonging to groups 13-15. There are more than 2000 compounds with 1:1:1 stoichiometry belonging to this class of compounds and they offer a broad variety of different structure types. Although many REME compounds are know to exist, mainly only structure and magnetism has been determined for these compounds. In particular, in the field of electronic and transport properties relatively few efforts have been made. The main focus in this study is on compounds crystallizing in MgAgAs and LiGaGe structure. Both structures can only be found among 18 valence electron compounds. The f electrons are localized and therefor not count as valence electrons. A special focus here was also on the magnetoresistance effects and spintronic properties found among the REME compounds. An examination of the following compounds was made: GdAuE (E=In,Cd,Mg), GdPdSb, GdNiSb, REAuSn (RE=Gd,Er,Tm) and RENiBi (RE=Pr,Sm,Gd-Tm,Lu). The experimental results were compared with theoretic band structure calculations. The first half metallic ferromagnet with LiGaGe structure (GdPdSb) was found. All semiconducting REME compounds with MgAgAs structure show giant magnetoresistance (GMR) at low temperatures. The GMR is related to a metal-insulator transition, and the value of the GMR depends on the value of the spin-orbit coupling. Inhomogeneous DyNiBi samples show a small positive MR at low temperature that depends on the amount of metallic impurities. At higher fields the samples show a

Structure and properties of intermetallic ternary rare earth compounds

Energy Technology Data Exchange (ETDEWEB)

Casper, Frederick

2008-12-17

The so called material science is an always growing field in modern research. For the development of new materials not only the experimental characterization but also theoretical calculation of the electronic structure plays an important role. A class of compounds that has attracted a great deal of attention in recent years is known as REME compounds. These compounds are often referred to with RE designating rare earth, actinide or an element from group 1-4, M representing a late transition metal from groups 8-12, and E belonging to groups 13-15. There are more than 2000 compounds with 1:1:1 stoichiometry belonging to this class of compounds and they offer a broad variety of different structure types. Although many REME compounds are know to exist, mainly only structure and magnetism has been determined for these compounds. In particular, in the field of electronic and transport properties relatively few efforts have been made. The main focus in this study is on compounds crystallizing in MgAgAs and LiGaGe structure. Both structures can only be found among 18 valence electron compounds. The f electrons are localized and therefor not count as valence electrons. A special focus here was also on the magnetoresistance effects and spintronic properties found among the REME compounds. An examination of the following compounds was made: GdAuE (E=In,Cd,Mg), GdPdSb, GdNiSb, REAuSn (RE=Gd,Er,Tm) and RENiBi (RE=Pr,Sm,Gd-Tm,Lu). The experimental results were compared with theoretic band structure calculations. The first half metallic ferromagnet with LiGaGe structure (GdPdSb) was found. All semiconducting REME compounds with MgAgAs structure show giant magnetoresistance (GMR) at low temperatures. The GMR is related to a metal-insulator transition, and the value of the GMR depends on the value of the spin-orbit coupling. Inhomogeneous DyNiBi samples show a small positive MR at low temperature that depends on the amount of metallic impurities. At higher fields the samples show a

Detailed investigation of thermal and electron transport properties in strongly correlated compound Ce6Pd12In5 and its nonmagnetic analog La6Pd12In5

Science.gov (United States)

Falkowski, M.; Krychowski, D.; Strydom, A. M.

2016-11-01

An in-depth study of thermal and electron transport properties including thermal conductivity κ(T), thermoelectric power S(T), and electrical resistivity ρ(T) of the heavy fermion Kondo lattice Ce6Pd12In5 and its nonmagnetic reference compound La6Pd12In5 is presented. The absolute κ(T) value of Ce6Pd12In5 is smaller that than of La6Pd12In5, which indicates that conduction electron-4f electron scattering has a large impact on the reduction of thermal conductivity. The isolated 4f electron contributions to the electrical resistivity ρ 4 f (T), electronic thermal resistivity displayed in the form W e l , 4 f (T) .T, and thermoelectric power S 4 f (T) reveal a low- and high-temperature -lnT behaviour characteristic of Kondo systems with strong crystal-electric field (CEF) interactions. The analysis of phonon scattering processes of lattice thermal conductivity κph(T) in (Ce, La)6Pd12In5 was performed over the whole accessible temperature range according to the Callaway model. In the scope of a theoretical approach based on the perturbation type calculation, we were able to describe our experimental data of ρ 4 f (T) and W e l , 4 f (T) .T by using the model incorporating simultaneously the Kondo effect in the presence of the CEF splitting, as it is foreseen in the framework of the Cornut-Coqblin and Bhattacharjee-Coqblin theory. Considering the fact that there are not many cases of similar studies at all, we also show the numerical calculations of temperature-dependent behaviour of spin-disorder resistivity ρs(T), magnetic resistivity ρ 4 f (T), and occupation number ⟨ N i ⟩ due to the various types of degeneracy of the ground state multiplet of Ce 3 + (J = 5/2).

Preparation of Mn doped CeO{sub 2} nanoparticles with enhanced ferromagnetism

Energy Technology Data Exchange (ETDEWEB)

Ravi, S., E-mail: sravi@mepcoeng.ac.in; Winfred Shashikanth, F.

2017-06-15

Spherical-like CeO{sub 2} and Mn-doped CeO{sub 2} using 6-aminohexanoic acid as surfactant exhibit enhanced ferromagnetism. The optical absorption spectra reveal a red shift with a band gap of 2.51 eV. The mechanics of ferromagnetism and the red shift were analyzed. These results provide a promising platform for developing a dilute magnetic semiconductor in spintronics. - Highlights: • Pure and Mn-doped CeO{sub 2} is prepared with aminohexanoic acid as capping. • They exhibit wide optical absorption with red-shift in their band gap. • Mn-doped CeO{sub 2} nanoparticle exhibit hysteresis at room temperature. • Results were promising to use in spintronics and opto-electronics field.

Exfoliation and van der Waals heterostructure assembly of intercalated ferromagnet Cr1/3TaS2

Science.gov (United States)

Yamasaki, Yuji; Moriya, Rai; Arai, Miho; Masubuchi, Satoru; Pyon, Sunseng; Tamegai, Tsuyoshi; Ueno, Keiji; Machida, Tomoki

2017-12-01

Ferromagnetic van der Waals (vdW) materials are in demand for spintronic devices with all-two-dimensional-materials heterostructures. Here, we demonstrate mechanical exfoliation of magnetic-atom-intercalated transition metal dichalcogenide Cr1/3TaS2 from its bulk crystal; previously such intercalated materials were thought difficult to exfoliate. Magnetotransport in exfoliated tens-of-nanometres-thick flakes revealed ferromagnetic ordering below its Curie temperature T C ~ 110 K as well as strong in-plane magnetic anisotropy; these are identical to its bulk properties. Further, van der Waals heterostructure assembly of Cr1/3TaS2 with another intercalated ferromagnet Fe1/4TaS2 is demonstrated using a dry-transfer method. The fabricated heterojunction composed of Cr1/3TaS2 and Fe1/4TaS2 with a native Ta2O5 oxide tunnel barrier in between exhibits tunnel magnetoresistance (TMR), revealing possible spin injection and detection with these exfoliatable ferromagnetic materials through the vdW junction.

Field-Induced Quantum Critical Point and Nodal Superconductivity in the Heavy-Fermion Superconductor Ce_{2}PdIn_{8}

Directory of Open Access Journals (Sweden)

J. K. Dong

2011-09-01

Full Text Available The in-plane resistivity ρ and thermal conductivity κ of the heavy-fermion superconductor Ce_{2}PdIn_{8} single crystals were measured down to 50 mK. A field-induced quantum critical point, occurring at the upper critical field H_{c2}, is demonstrated from the ρ(T∼T near H_{c2} and ρ(T∼T^{2} when further increasing the field. The large residual linear term κ_{0}/T at zero field and the rapid increase of κ(H/T at low field give evidence for nodal superconductivity in Ce_{2}PdIn_{8}. The jump of κ(H/T near H_{c2} suggests a first-order-like phase transition at low temperature. These results mimic the features of the famous CeCoIn_{5} superconductor, implying that Ce_{2}PdIn_{8} may be another interesting compound to investigate for the interplay between magnetism and superconductivity.

Room temperature ferromagnetism in (In{sub 1-x}Ni{sub x}){sub 2}O{sub 3} thin films

Energy Technology Data Exchange (ETDEWEB)

Sai Krishna, N. [Thin Films Laboratory, School of Advanced Sciences, VIT University, Vellore 632014, Tamilnadu (India); Kaleemulla, S., E-mail: skaleemulla@gmail.com [Thin Films Laboratory, School of Advanced Sciences, VIT University, Vellore 632014, Tamilnadu (India); Amarendra, G. [Materials Science Group, Indira Gandhi Centre for Atomic Research, Kalpakkam 603102, Tamilnadu (India); UGC-DAE-CSR, Kalpakkam Node, Kokilamedu 603104,Tamilnadu (India); Madhusudhana Rao, N.; Krishnamoorthi, C.; Rigana Begam, M. [Thin Films Laboratory, School of Advanced Sciences, VIT University, Vellore 632014, Tamilnadu (India); Omkaram, I. [Department of Electronics and Radio Engineering, Kyung Hee University, Yongin-si, Gyeonggi-do 446-701 (Korea, Republic of); Sreekantha Reddy, D. [Department of Physics and Sungkyunkwan Advanced Institute of Nanotechnology (SAINT), Sungkyunkwan University, Suwon 440-746 (Korea, Republic of)

2015-06-15

Polycrystalline (In{sub 1−x}Ni{sub x}){sub 2}O{sub 3} thin films (x=0.00, 0.03, 0.05 and 0.07) were deposited on glass substrates by electron beam evaporation technique. The effect of Ni concentration on composition, structural and magnetic properties of (In{sub 1−x}Ni{sub x}){sub 2}O{sub 3} thin films was studied. Increment in the Ni concentration does increase the oxygen vacancies and ferromagnetic strength in (In{sub 1−x}Ni{sub x}){sub 2}O{sub 3} thin films. X-ray photoelectron spectroscopy (XPS) studies indicate the dopant Ni exists in Ni (II) state in In{sub 2}O{sub 3} host. Ferromagnetism was attributed to intrinsic nature of the sample rather than any secondary magnetic phases exist in the films. The observed ferromagnetism in (In{sub 1−x}Ni{sub x}){sub 2}O{sub 3} was attributed to ferromagnetic exchange interaction between Ni{sup 2+} ions via single free electron trapped in oxygen vacancy. Increase in oxygen vacancies with Ni concentration lead to increase in such an oxygen vacancy mediated ferromagnetic pairs resulting in increase in ferromagnetic strength with Ni concentration.

Colloidal lithography nanostructured Pd/PdO x core–shell sensor for ppb level H2S detection

Science.gov (United States)

Benedict, Samatha; Lumdee, Chatdanai; Dmitriev, Alexandre; Anand, Srinivasan; Bhat, Navakanta

2018-06-01

In this work we report on plasma oxidation of palladium (Pd) to form reliable palladium/palladium oxide (Pd/PdO x ) core–shell sensor for ppb level H2S detection and its performance improvement through nanostructuring using hole-mask colloidal lithography (HCL). The plasma oxidation parameters and the sensor operating conditions are optimized to arrive at a sensor device with high sensitivity and repeatable response for H2S. The plasma oxidized palladium/palladium oxide sensor shows a response of 43.1% at 3 ppm H2S at the optimum operating temperature of 200 °C with response and recovery times of 24 s and 155 s, respectively. The limit of detection (LoD) of the plasma oxidised beam is 10 ppb. We further integrate HCL, a bottom-up and cost-effective process, to create nanodiscs of fixed diameter of 100 nm and varying heights (10, 15 and 20 nm) on 10 nm thin Pd beam which is subsequently plasma oxidized to improve the H2S sensing characteristics. The nanostructured Pd/PdO x sensor with nanodiscs of 100 nm diameter and 10 nm height shows an enhancement in sensing performance by 11.8% at same operating temperature and gas concentration. This nanostructured sensor also shows faster response and recovery times (15 s and 100 s, respectively) compared to the unstructured Pd/PdO x counterpart together with an experimental LoD of 10 ppb and the estimated limit going all the way down to 2 ppb. Material characterization of the fabricated Pd/PdO x sensors is done using UV–vis spectroscopy and x-ray photoemission spectroscopy.

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.

Studies of valence of selected rare earth silicides determined using Si K and Pd/Rh L{sub 2,3} XANES and LAPW numerical studies

Energy Technology Data Exchange (ETDEWEB)

Zajdel, P., E-mail: pawel.zajdel@us.edu.pl [Institute of Physics, University of Silesia, ul. Uniwersytecka 4, 40-007 Katowice (Poland); Kisiel, A., E-mail: andrzej.kisiel@uj.edu.pl [M. Smoluchowski Institute of Physics, Jagiellonian University, ul. Lojasiewicza 11, 30-348 Kraków (Poland); Szytuła, A., E-mail: andrzej.szytula@uj.edu.pl [M. Smoluchowski Institute of Physics, Jagiellonian University, ul. Lojasiewicza 11, 30-348 Kraków (Poland); Goraus, J., E-mail: jerzy.goraus@us.edu.pl [Institute of Physics, University of Silesia, ul. Uniwersytecka 4, 40-007 Katowice (Poland); Balerna, A., E-mail: antonella.balerna@lnf.infn.it [Laboratori Nazionali di Frascati, INFN, Lab DAPHINE-Light, Via E. Fermi 40, I-00044 Frascati (Italy); Banaś, A., E-mail: slsba@nus.edu.sg [Singapore Synchrotron Light Source, National University of Singapore, 5 Research Link, Singapore 117603 (Singapore); Starowicz, P., E-mail: pawel.starowicz@uj.edu.pl [M. Smoluchowski Institute of Physics, Jagiellonian University, ul. Lojasiewicza 11, 30-348 Kraków (Poland); Konior, J., E-mail: jerzy.konior@uj.edu.pl [M. Smoluchowski Institute of Physics, Jagiellonian University, ul. Lojasiewicza 11, 30-348 Kraków (Poland); Cinque, G., E-mail: gianfelice.cinque@diamond.ac.uk [Diamond Light Source, Harwell Campus, OX11 0DE Chilton-Didcot (United Kingdom); Grilli, A., E-mail: antonio.grilli@lnf.infn.it [Laboratori Nazionali di Frascati, INFN, Lab DAPHINE-Light, Via E. Fermi 40, I-00044 Frascati (Italy)

2015-12-01

Highlights: • The Si K and Pd L{sub 3} edges of R{sub 2}PdSi{sub 3} (R = Ce, Nd, Tb, Dy, Ho, Er) and HoRh{sub 2−x}Pd{sub x}Si{sub 2} are reported. • The R–Si bonds possess polar and 4d5s bands of Pd and Rh metallic characters. • There is no indication of Ce having a different valence than the other rare earths. • The positions and features of the calculated edges exhibit a fair agreement up to ≈10 eV. • The supercell used for Ho{sub 2}PdSi{sub 3} is good enough to reproduce the Si K edge. - Abstract: We report on the investigation of Si and Pd/Rh chemical environments using X-ray Absorption Near Edge Spectroscopy in two different families of rare earth silicides R{sub 2}PdSi{sub 3} (R = Ce, Nd, Tb, Dy, Ho, Er) and HoRh{sub 2−x}Pd{sub x}Si{sub 2} (x = 0, 0.5, 0.75, 1.0, 1.5, 1.8, 2.0). The Si K, Pd L{sub 3} and Rh L{sub 3} absorption edges were recorded in order to follow their changes upon the variation of 4f and 4d5s electron numbers. In both cases it was found that the Si K edge was shifted ≈0.5 eV toward lower energies, relative to pure silicon. In the first family, the shift decreases with increasing number of f-electrons, while the Si K edge remains constant upon rhodium–palladium substitution. In all cases the Pd L{sub 3} edge was shifted to higher energies relative to metallic Pd. No visible change in the Pd L{sub 3} position was observed either with a varying 4f electron count or upon Pd/Rh substitution. Also, the Rh L{sub 3} edge did not change. For two selected members, Ho{sub 2}PdSi{sub 3} and HoPd{sub 2}Si{sub 2}, the Wien2K’09 (LDA + U) package was used to calculate the electronic structure and the absorption edges. Si K edges were reproduced well for both compounds, while Pd L{sub 3} only exhibited a fair agreement for the second compound. This discrepancy between the Pd L{sub 3} theory and experiment for the Ho{sub 2}PdSi{sub 3} sample can be attributed to the specific ordered superstructure used in the numerical calculations

Conductance spectra of asymmetric ferromagnet/ferromagnet/ferromagnet junctions

Energy Technology Data Exchange (ETDEWEB)

Pasanai, K., E-mail: krisakronmsu@gmail.com

2017-01-15

A theory of tunneling spectroscopy of ferromagnet/ferromagnet/ferromagnet junctions was studied. We applied a delta-functional approximation for the interface scattering properties under a one-dimensional system of a free electron approach. The reflection and transmission probabilities were calculated in the ballistic regime, and the conductance spectra were then calculated using the Landauer formulation. The magnetization directions were set to be either parallel (P) or anti-parallel (AP) alignments, for comparison. We found that the conductance spectra was suppressed when increasing the interfacial scattering at the interfaces. Moreover, the electron could exhibit direct transmission when the thickness was rather thin. Thus, there was no oscillation in this case. However, in the case of a thick layer the conductance spectra oscillated, and this oscillation was most prominent when the middle layer thickness increased. In the case of direct transmission, the conductance spectra of P and AP systems were definitely suppressed with increased exchange energy of the middle ferromagnet. This also refers to an increase in the magnetoresistance of the junction. In the case of oscillatory behavior, the positions of the resonance peaks were changed as the exchange energy was changed. - Highlights: • The conductance spectra of a FM/FM/FM junction were calculated. • The conductance spectra were suppressed by the exchange energy. • The exchange energy and the potential strength play similar roles in the junctions.

Conductance spectra of asymmetric ferromagnet/ferromagnet/ferromagnet junctions

International Nuclear Information System (INIS)

Pasanai, K.

2017-01-01

A theory of tunneling spectroscopy of ferromagnet/ferromagnet/ferromagnet junctions was studied. We applied a delta-functional approximation for the interface scattering properties under a one-dimensional system of a free electron approach. The reflection and transmission probabilities were calculated in the ballistic regime, and the conductance spectra were then calculated using the Landauer formulation. The magnetization directions were set to be either parallel (P) or anti-parallel (AP) alignments, for comparison. We found that the conductance spectra was suppressed when increasing the interfacial scattering at the interfaces. Moreover, the electron could exhibit direct transmission when the thickness was rather thin. Thus, there was no oscillation in this case. However, in the case of a thick layer the conductance spectra oscillated, and this oscillation was most prominent when the middle layer thickness increased. In the case of direct transmission, the conductance spectra of P and AP systems were definitely suppressed with increased exchange energy of the middle ferromagnet. This also refers to an increase in the magnetoresistance of the junction. In the case of oscillatory behavior, the positions of the resonance peaks were changed as the exchange energy was changed. - Highlights: • The conductance spectra of a FM/FM/FM junction were calculated. • The conductance spectra were suppressed by the exchange energy. • The exchange energy and the potential strength play similar roles in the junctions.

Ba2NiOsO6 : A Dirac-Mott insulator with ferromagnetism near 100 K

International Nuclear Information System (INIS)

Feng, Hai L.; Calder, Stuart

2016-01-01

In this study, the ferromagnetic semiconductor Ba 2 NiOsO 6 (T mag ~ 100 K) was synthesized at 6 GPa and 1500 °C. It crystallizes into a double perovskite structure [Fm - 3m; a = 8.0428 (1) Å], where the Ni 2+ and Os 6+ ions are perfectly ordered at the perovskite B site. We show that the spin-orbit coupling of Os 6+ plays an essential role in opening the charge gap. The magnetic state was investigated by density functional theory calculations and powder neutron diffraction. The latter revealed a collinear ferromagnetic order in a > 21 kOe magnetic field at 5 K. The ferromagnetic gapped state is fundamentally different from that of known dilute magnetic semiconductors such as (Ga,Mn)As and (Cd,Mn)Te (T mag < 180 K), the spin-gapless semiconductor Mn 2 CoAl (T mag ~ 720 K), and the ferromagnetic insulators EuO (T mag ~ 70 K) and Bi 3 Cr 3 O 11 (T mag ~ 220 K). It is also qualitatively different from known ferrimagnetic insulators and semiconductors, which are characterized by an antiparallel spin arrangement. Our finding of the ferromagnetic semiconductivity of Ba 2 NiOsO 6 should increase interest in the platinum group oxides, because this alternative class of materials should be useful in the development of spintronic, quantum magnetic, and related devices.

Structural, optical and ferromagnetic properties of Cr doped TiO2 nanoparticles

International Nuclear Information System (INIS)

Choudhury, Biswajit; Choudhury, Amarjyoti

2013-01-01

Graphical abstract: Doping of Cr 3+ distorts the lattice of TiO 2 , generate oxygen vacancies and create d-band states in the mid band gap of TiO 2 . Incorporation of Cr 3+ also imparts magnetism in non-magnetic TiO 2 by undergoing coupling with the neighboring oxygen vacancies. -- Highlights: • Incorporation of Cr 3+ increases the concentration of oxygen vacancies in TiO 2 nanoparticles. • Doped TiO 2 nanoparticles contain absorption peaks corresponding to d–d transition of Cr 3+ into TiO 2 . • Pure and doped TiO 2 nanoparticles contain emission peaks related to oxygen vacancies. • Pure TiO 2 shows diamagnetism while Cr doped TiO 2 shows ferromagnetism. • The ferromagnetism is due to the interaction of Cr 3+ ions via oxygen vacancies. -- Abstract: Cr doped TiO 2 nanoparticles are prepared with three different concentrations of chromium, 1.5%, 3.0% and 4.5 mol% respectively. Doping decreases the crystallinity and increases the width of the X-ray diffraction peak. The Raman active E g peak of TiO 2 nanoparticles become asymmetric and shifted to higher energy on doping of 4.5% chromium. Electron paramagnetic resonance spectra reveal the presence of Cr 3+ in the host TiO 2 matrix. The absorption spectra of Cr doped TiO 2 nanoparticles contain absorption peaks corresponding to d–d transition of Cr 3+ in octahedral coordination. Most of the visible emission peaks are due to the electrons trapped in the oxygen vacancy centers. Undoped TiO 2 nanoparticles show diamagnetism at room temperature while all chromium doped samples show ferromagnetism. The magnetization of the doped samples increases at 1.5% and 3.0% and decreases at 4.5%. The ferromagnetism arises owing to the interaction of the neighboring Cr 3+ ions via oxygen vacancies. The decrease of magnetization at the highest doping is possibly due to the antiferromagnetic interactions of Cr 3+ pairs or due to Cr 3+ -O 2− -Cr 3+ superexchange interaction in the lattice

Crystal structure and physical properties of new Ca{sub 2}TGe{sub 3} (T = Pd and Pt) germanides

Energy Technology Data Exchange (ETDEWEB)

Klimczuk, T., E-mail: tomasz.klimczuk@pg.gda.pl [Faculty of Applied Physics and Mathematics, Gdansk University of Technology, Narutowicza 11/12, 80–233 Gdansk (Poland); Xie, Weiwei [Department of Chemistry, Princeton University, Princeton, NJ 08544 (United States); Winiarski, M.J.; Kozioł, R.; Litzbarski, L.S. [Faculty of Applied Physics and Mathematics, Gdansk University of Technology, Narutowicza 11/12, 80–233 Gdansk (Poland); Luo, Huixia; Cava, R.J. [Department of Chemistry, Princeton University, Princeton, NJ 08544 (United States)

2016-11-15

The crystallographic, electronic transport and thermal properties of Ca{sub 2}PdGe{sub 3} and Ca{sub 2}PtGe{sub 3} are reported. The compounds crystalize in an ordered variant of the AlB{sub 2} crystal structure, in space group P6/mmm, with the lattice parameters a = 8.4876(4) Å/8.4503(5) Å and c = 4.1911(3) Å/4.2302(3) Å for Ca{sub 2}PdGe{sub 3} and Ca{sub 2}PtGe{sub 3}, respectively. The resistivity data exhibit metallic behavior with residual-resistivity-ratios (RRR) of 13 for Ca{sub 2}PdGe{sub 3} and 6.5 for Ca{sub 2}PtGe{sub 3}. No superconducting transition is observed down to 0.4 K. Specific heat studies reveal similar values of the Debye temperatures and Sommerfeld coefficients: Θ{sub D} = 298 K, γ = 4.1 mJ mol{sup −1} K{sup −2} and Θ{sub D} = 305 K, γ = 3.2 mJ mol{sup −1} K{sup −2} for Ca{sub 2}PdGe{sub 3} and Ca{sub 2}PtGe{sub 3}, respectively. The low value of γ is in agreement with the electronic structure calculations.

Electric field effect in multilayer Cr2Ge2Te6: a ferromagnetic 2D material

Science.gov (United States)

Xing, Wenyu; Chen, Yangyang; Odenthal, Patrick M.; Zhang, Xiao; Yuan, Wei; Su, Tang; Song, Qi; Wang, Tianyu; Zhong, Jiangnan; Jia, Shuang; Xie, X. C.; Li, Yan; Han, Wei

2017-06-01

The emergence of two-dimensional (2D) materials has attracted a great deal of attention due to their fascinating physical properties and potential applications for future nano-electronic devices. Since the first isolation of graphene, a Dirac material, a large family of new functional 2D materials have been discovered and characterized, including insulating 2D boron nitride, semiconducting 2D transition metal dichalcogenides and black phosphorus, and superconducting 2D bismuth strontium calcium copper oxide, molybdenum disulphide and niobium selenide, etc. Here, we report the identification of ferromagnetic thin flakes of Cr2Ge2Te6 (CGT) with thickness down to a few nanometers, which provides a very important piece to the van der Waals structures consisting of various 2D materials. We further demonstrate the giant modulation of the channel resistance of 2D CGT devices via electric field effect. Our results illustrate the gate voltage tunability of 2D CGT and the potential of CGT, a ferromagnetic 2D material, as a new functional quantum material for applications in future nanoelectronics and spintronics.

Peculiar ferromagnetic insulator state in the low-hole-doped manganites

International Nuclear Information System (INIS)

Algarabel, P.A.; Teresa, J.M. de; Blasco, J.; Ibarra, M.R.; Kapusta, Cz.; Sikora, M.; Zajac, D.; Riedi, P.C.; Ritter, C.

2003-01-01

In this work we show the very different nature of the ferromagnetic state of the low-hole-doped manganites with respect to other manganites showing colossal magnetoresistance. High-field measurements definitively prove the coexistence of ferromagnetic-metallic and ferromagnetic-insulating regions even when the sample is magnetically saturated, with the ground state being inhomogeneous. We have investigated La 0.9 Ca 0.1 MnO 3 as a prototype compound. A wide characterization by means of magnetic and magnetotransport measurements, neutron diffraction, small-angle neutron scattering, and nuclear magnetic resonance has allowed us to establish that the ground state is based on the existence of disordered nanometric double-exchange metallic clusters that coexist with long-range superexchange-based ferromagnetic insulating regions. Under high magnetic field the system reaches magnetization saturation by aligning the magnetic clusters and the insulating matrix, but even if they grow in size, they do not reach the percolation limit

Phenomenological description of anisotropy effects in some ferromagnetic superconductors

Energy Technology Data Exchange (ETDEWEB)

Shopova, Diana V., E-mail: sho@issp.bas.bg [TCCM Research Group, Institute of Solid State Physics, Bulgarian Academy of Sciences, BG-1784 Sofia (Bulgaria); Todorov, Michail D. [Department of Applied Mathematics and Computer Science, Technical University of Sofia, 1000 Sofia (Bulgaria)

2015-07-03

We study phenomenologically the role of anisotropy in ferromagnetic superconductors UGe{sub 2}, URhGe, and UCoGe for the description of their phase diagrams. We use the Ginzburg–Landau free energy in its uniform form as we will consider only spatially independent solutions. This is an expansion of previously derived results where the effect of Cooper-pair and crystal anisotropies is not taken into account. The three compounds are separately discussed with the special stress on UGe{sub 2}. The main effect comes from the strong uniaxial anisotropy of magnetization while the anisotropy of Cooper pairs and crystal anisotropy only slightly change the phase diagram in the vicinity of Curie temperature. The limitations of this approach are also discussed. - Highlights: • Anisotropic Landau energy for description of ferromagnetic superconductors is proposed. • Meissner phases are described with their existence and stability conditions. • The application of the model to UGe{sub 2} is discussed. • The limitations to apply the model for description of experimental data are explained.

Monometallic Pd and Pt and Bimetallic Pd-Pt/Al2O3-TiO2 for the HDS of DBT: Effect of the Pd and Pt Incorporation Method

Directory of Open Access Journals (Sweden)

Reynaldo Martínez Guerrero

2014-01-01

Full Text Available The effect of the preparation method of monometallic Pd and Pt and bimetallic Pd-Pt/Al2O3-TiO2 catalysts on the hydrodesulfurization (HDS of dibenzothiophene (DBT was investigated in this study. The synthesis was accomplished using three methods: (A impregnation, (B metal organic chemical vapor deposition (MOCVD, and (C impregnation-MOCVD. The bimetallic Pd-Pt catalyst prepared by the impregnation-MOCVD method was most active for the HDS of DBT compared to those prepared by the single impregnation or MOCVD method due to the synergetic effect between both noble metals. The greater selectivity toward biphenyl indicated that this bimetallic Pd-Pt catalyst preferentially removes sulfur via the direct desulfurization mechanism. However, the bimetallic Pd-Pt catalyst prepared using the single MOCVD method did not produce any cyclohexylbenzene, which is most likely associated with the hydrogenation/dehydrogenation sites.

Enhanced H2S Sensing Performance of a p-type Semiconducting PdO-NiO Nanoscale Heteromixture

Science.gov (United States)

Balamurugan, C.; Jeong, Y. J.; Lee, D. W.

2017-10-01

Semiconducting nanocrystalline nickel oxide (NiO) and PdO-doped NiO heteromixture (2, 5 and 10 wt%) have been synthesized via a metal-citrate complex method. The obtained materials were further characterized using TG/DTA, FT-IR, UV-vis, XRD, XPS, BET/BJH, SEM and TEM analyses to determine their structural and morphological properties. The results indicated that the spherical, uniform PdO nanoparticles were densely deposited on the NiO surface mainly in diameters of 10-15 nm. Moreover, the existence of various defect states was also analyzed with the help of photoluminescence (PL) spectroscopy. The gas response characteristics of synthesized materials were evaluated in the presence and absence of toxic gases such as hydrogen sulfide (H2S), carbon monoxide (CO), liquid petroleum gas (LPG), and ethanol (C2H5OH). The experimental results revealed that the sensitivity and selectivity of the NiO-based sensor material are dependent on the weight% of PdO loading in the NiO nanopowder. Among the investigated compound, the 5 wt% PdO-doped NiO sensor material showed excellent sensitivity and selectivity to 100 ppm H2S with a fast response/recovery characteristics of 6 s and 10 s, respectively. Furthermore, the 5 wt% PdO-doped NiO based sensor showed a linear relationship between the different concentrations of H2S gas and a significantly higher response to H2S even at the low concentration of 20 ppm (43%) at 60 °C. The dominant H2S gas sensing mechanisms in the NiO and 5 wt% PdO-doped NiO nanomaterials are systematically discussed based on the obtained characterization results.

Room-temperature ferromagnetism in cerium dioxide powders

Energy Technology Data Exchange (ETDEWEB)

Rakhmatullin, R. M., E-mail: rrakhmat@kpfu.ru; Pavlov, V. V.; Semashko, V. V.; Korableva, S. L. [Kazan Federal University, Institute of Physics (Russian Federation)

2015-08-15

Room-temperature ferromagnetism is detected in a CeO{sub 2} powder with a grain size of about 35 nm and a low (<0.1 at %) manganese and iron content. The ferromagnetism in a CeO{sub 2} sample with a submicron crystallite size and the same manganese and iron impurity content is lower than in the nanocrystalline sample by an order of magnitude. Apart from ferromagnetism, both samples exhibit EPR spectra of localized paramagnetic centers, the concentration of which is lower than 0.01 at %. A comparative analysis of these results shows that the F-center exchange (FCE) mechanism cannot cause ferromagnetism. This conclusion agrees with the charge-transfer ferromagnetism model proposed recently.

Reorientation of magnetization with temperature in 2D ferromagnets

International Nuclear Information System (INIS)

Fridman, Yu. A.; Spirin, D.V.; Klevets, Ph. N.

2002-01-01

We investigated 2D Heisenberg ferromagnet (monolayer) with the account of dipolar forces and uniaxial anisotropy and found a reorientation phase transition in temperature from out-of-plane to in-plane phase. This phase transition is of the first order with hysteresis. We estimated the temperatures of switching both analytically and numerically

Hyperfine fields at some 4d, 5d and 4f impurities in ferromagnetic GdZn and GdCd

International Nuclear Information System (INIS)

Kasamatsu, Y.; Kojima, K.; Hihara, T.

1995-01-01

Hyperfine (hf) fields at 4d (Y, Nb, Rh, Pd), 5d (Lu, Ta, Ir) and 4f (La, Nd, Sm, Eu) impurities in ferromagnetic GdZn and GdCd have been measured by NMR at 4.2 K. The local moment contributions to the hf field suggest that the impurity moments at the beginning and end of the d series are parallel and antiparallel to Gd moments, respectively. The hf results for 4f impurities are also discussed. ((orig.))

Promotion of Phenol Photodecomposition over TiO2 Using Au, Pd, and AuPd Nanoparticles

DEFF Research Database (Denmark)

Su, Ren; Tiruvalam, Ramchandra; He, Qian

2012-01-01

Noble metal nanoparticles (Au, Pd, AuPd alloys) with a narrow size distribution supported on nanocrystalline TiO2 (M/TiO2) have been synthesized via a sol-immobilization route. The effect of metal identity and size on the photocatalytic performance of M/TiO2 has been systematically investigated u...

Interfacial processes in the Pd/a-Ge:H system

Science.gov (United States)

Edelman, F.; Cytermann, C.; Brener, R.; Eizenberg, M.; Weil, R.; Beyer, W.

1993-06-01

The kinetics of phase transformation has been studied in a two-layer structure of Pd/a-Ge:H after vacuum annealing at temperatures from 180 to 500°C. The a-Ge:H was deposited at 250°C on both c-Si and cleaved NaCl substrates in an RF glow discharge from a GeH 4/H 2 mixture. It was found that, similarly to the Pd/c-Ge and the Pd/a-Ge (e-gun deposited) systems, in the case of 0.15-0.2 μm Pd/0.6-1.0 μm a-Ge:H interfacial germanides formed first through the production of Pd 2Ge (plus a small amount of PdGe), and then PdGe was produced. The growth of both compounds was found to be diffusion-controlled. The nonreacted a-Ge:H layer beneath the germanide overlayer crystallized at 400-500°C. A reverse sequence of germanides formation was revealed in the case of 50 nm Pd/30 nm a-Ge:H, studied by in situ heat treatment in the TEM utilizing non-supported samples. The first germanide detected was PdGe and then, as a result of PdGe and Ge reaction or the PdGe decomposition, Pd 2Ge formed. The temperature dependence of the incubation time before the first ˜ 10 nm PdGe grains formed, followed an Arrhenius curve with an activation energy of 1.45 eV.

Superconducting thin films of As-free pnictide LaPd{sub 1-x}Sb{sub 2} grown by reactive molecular beam epitaxy

Energy Technology Data Exchange (ETDEWEB)

Retzlaff, Reiner; Buckow, Alexander; Kurian, Jose; Alff, Lambert [Institute of Materials Science, Technische Universitaet Darmstadt, Petersenstr. 23, 64287 Darmstadt (Germany)

2013-07-01

We use reactive molecular beam epitaxy as synthesis technique for the search of arsenic free pnictide superconductors. Epitaxial thin films of LaPd{sub 1-x}Sb{sub 2} were grown on (100) MgO substrates from elemental sources by simultaneous evaporation of high purity La, Pd and Sb metals by e-gun. LaPd{sub 1-x}Sb{sub 2} belongs to a novel class of pnictide superconductors with a peculiar pnictide square net layer. Previously, we have reported epitaxial growth of isostructural Bi based compounds. The substitution of Bi by Sb leads to thin films with metallic behavior and room temperature resistivity of about 85 μΩ cm. The highest observed transition temperature T{sub c} inLaPd{sub 1-x}Sb{sub 2} is 3.1 K and does not depend on x. We discuss strategies to increase T{sub c} in this pnictide subfamily.

Pressure-induced spin reorientation transition in layered ferromagnetic insulator Cr2Ge2Te6

Science.gov (United States)

Lin, Zhisheng; Lohmann, Mark; Ali, Zulfikhar A.; Tang, Chi; Li, Junxue; Xing, Wenyu; Zhong, Jiangnan; Jia, Shuang; Han, Wei; Coh, Sinisa; Beyermann, Ward; Shi, Jing

2018-05-01

The anisotropic magnetoresistance (AMR) of Cr2Ge2Te6 (CGT), a layered ferromagnetic insulator, is investigated under an applied hydrostatic pressure up to 2 GPa. The easy-axis direction of the magnetization is inferred from the AMR saturation feature in the presence and absence of an applied pressure. At zero applied pressure, the easy axis is along the c direction or perpendicular to the layer. Upon application of a hydrostatic pressure > 1 GPa, the uniaxial anisotropy switches to easy-plane anisotropy which drives the equilibrium magnetization from the c axis to the a b plane at zero magnetic field, which amounts to a giant magnetic anisotropy energy change (> 100%). As the temperature is increased across the Curie temperature, the characteristic AMR effect gradually decreases and disappears. Our first-principles calculations confirm the giant magnetic anisotropy energy change with moderate pressure and assign its origin to the increased off-site spin-orbit interaction of Te atoms due to a shorter Cr-Te distance. Such a pressure-induced spin reorientation transition is very rare in three-dimensional ferromagnets, but it may be common to other layered ferromagnets with similar crystal structures to CGT, and therefore offers a unique way to control magnetic anisotropy.

Microwave-induced direct spin-flip transitions in mesoscopic Pd/Co heterojunctions

Science.gov (United States)

Pietsch, Torsten; Egle, Stefan; Keller, Martin; Fridtjof-Pernau, Hans; Strigl, Florian; Scheer, Elke

2016-09-01

We experimentally investigate the effect of resonant microwave absorption on the magneto-conductance of tunable Co/Pd point contacts. At the interface a non-equilibrium spin accumulation is created via microwave absorption and can be probed via point contact spectroscopy. We interpret the results as a signature of direct spin-flip excitations in Zeeman-split spin-subbands within the Pd normal metal part of the junction. The inverse effect, which is associated with the emission of a microwave photon in a ferromagnet/normal metal point contact, can also be detected via its unique signature in transport spectroscopy.

Microwave-induced direct spin-flip transitions in mesoscopic Pd/Co heterojunctions

International Nuclear Information System (INIS)

Pietsch, Torsten; Egle, Stefan; Keller, Martin; Fridtjof-Pernau, Hans; Strigl, Florian; Scheer, Elke

2016-01-01

We experimentally investigate the effect of resonant microwave absorption on the magneto-conductance of tunable Co/Pd point contacts. At the interface a non-equilibrium spin accumulation is created via microwave absorption and can be probed via point contact spectroscopy. We interpret the results as a signature of direct spin-flip excitations in Zeeman-split spin-subbands within the Pd normal metal part of the junction. The inverse effect, which is associated with the emission of a microwave photon in a ferromagnet/normal metal point contact, can also be detected via its unique signature in transport spectroscopy. (paper)

The PD1:PD-L1/2 Pathway from Discovery to Clinical Implementation.

Science.gov (United States)

Bardhan, Kankana; Anagnostou, Theodora; Boussiotis, Vassiliki A

2016-01-01

The immune system maintains a critically organized network to defend against foreign particles, while evading self-reactivity simultaneously. T lymphocytes function as effectors and play an important regulatory role to orchestrate the immune signals. Although central tolerance mechanism results in the removal of the most of the autoreactive T cells during thymic selection, a fraction of self-reactive lymphocytes escapes to the periphery and pose a threat to cause autoimmunity. The immune system evolved various mechanisms to constrain such autoreactive T cells and maintain peripheral tolerance, including T cell anergy, deletion, and suppression by regulatory T cells (T Regs ). These effects are regulated by a complex network of stimulatory and inhibitory receptors expressed on T cells and their ligands, which deliver cell-to-cell signals that dictate the outcome of T cell encountering with cognate antigens. Among the inhibitory immune mediators, the pathway consisting of the programed cell death 1 (PD-1) receptor (CD279) and its ligands PD-L1 (B7-H1, CD274) and PD-L2 (B7-DC, CD273) plays an important role in the induction and maintenance of peripheral tolerance and for the maintenance of the stability and the integrity of T cells. However, the PD-1:PD-L1/L2 pathway also mediates potent inhibitory signals to hinder the proliferation and function of T effector cells and have inimical effects on antiviral and antitumor immunity. Therapeutic targeting of this pathway has resulted in successful enhancement of T cell immunity against viral pathogens and tumors. Here, we will provide a brief overview on the properties of the components of the PD-1 pathway, the signaling events regulated by PD-1 engagement, and their consequences on the function of T effector cells.

The PD1: PD-L1/2 pathway from discovery to clinical implementation

Directory of Open Access Journals (Sweden)

Kankana Bardhan

2016-12-01

Full Text Available The immune system has the difficult challenge of discerning and defending against a diversity of microbial pathogens, while simultaneously avoiding self-reactivity. T lymphocytes function as effectors and regulators of the immune system. While central tolerance mechanism results in deletion of the majority of self-reactive T lymphocytes during thymic selection, a fraction of self reactive lymphocytes escapes to the periphery and retains the potential to inflict destructive autoimmune pathology. The immune system evolved various mechanisms to restrain such auto-reactive T cells and maintain peripheral tolerance, including T cell anergy, deletion, and suppression by regulatory T cells (TRegs. These effects are regulated by a complex network of stimulatory and inhibitory receptors expressed on T cells and their ligands, which deliver cell-to-cell signals that dictate the outcome of T cell encountering with cognate antigens. Among the inhibitory immune mediators, the pathway consisting of the programmed cell death 1 (PD-1 receptor (CD279 and its ligands PD-L1 (B7-H1, CD274 and PD-L2 (B7-DC; CD273 plays a vital role in the induction and maintenance of peripheral tolerance and for the maintenance of T cell homeostasis. In contrast to its beneficial role in self-tolerance, the PD-1: PD-L1/L2 pathway mediates potent inhibitory signals that prevent the expansion and function of T effector cells and have detrimental effects on antiviral and antitumor immunity. Therapeutic targeting of this pathway has resulted in successful enhancement of T cell immunity against viral pathogens and tumors. Here, we will provide a brief overview on the properties of the components of the PD-1 pathway, the signaling events that are regulated by PD-1 triggering, and their consequences on the function of T effector cells.

Crystal growth by Bridgman and Czochralski method of the ferromagnetic quantum critical material YbNi4P2

Science.gov (United States)

Kliemt, K.; Krellner, C.

2016-09-01

The tetragonal YbNi4P2 is one of the rare examples of compounds that allow the investigation of a ferromagnetic quantum critical point. We report in detail on two different methods which have been used to grow YbNi4P2 single crystals from a self-flux. The first, a modified Bridgman method, using a closed crucible system yields needle-shaped single crystals oriented along the [001]-direction. The second method, the Czochralski growth from a levitating melt, yields large single crystals which can be cut in any desired orientation. With this crucible-free method, samples without flux inclusions and a resistivity ratio at 1.8 K of RR1.8K = 17 have been grown.

Pyruvate Kinase M2 Is Required for the Expression of the Immune Checkpoint PD-L1 in Immune Cells and Tumors

Directory of Open Access Journals (Sweden)

Eva M. Palsson-McDermott

2017-10-01

Full Text Available Blocking interaction of the immune checkpoint receptor PD-1 with its ligand PD-L1 is associated with good clinical outcomes in a broad variety of malignancies. High levels of PD-L1 promote tumor growth by restraining CD8+ T-cell responses against tumors. Limiting PD-L1 expression and function is therefore critical for allowing the development of antitumor immune responses and effective tumor clearance. Pyruvate kinase isoform M2 (PKM2 is also a key player in regulating cancer as well as immune responses. PKM2 catalyzes the final rate-limiting step of glycolysis. Furthermore, PKM2 as a dimer translocates to the nucleus, where it stimulates hypoxia-inducible factor 1α (Hif-1α transactivation domain function and recruitment of p300 to the hypoxia response elements (HRE of Hif-1α target genes. Here, we provide the first evidence of a role for PKM2 in regulating the expression of PD-L1 on macrophages, dendritic cells (DCs, T cells, and tumor cells. LPS-induced expression of PD-L1 in primary macrophages was inhibited by the PKM2 targeting compound TEPP-46. Furthermore, RNA silencing of PKM2 inhibited LPS-induced PD-L1 expression. This regulation occurs through direct binding of PKM2 and Hif-1α to HRE sites on the PD-L1 promoter. Moreover, TEPP-46 inhibited expression of PD-L1 on macrophages, DCs, and T cells as well as tumor cells in a mouse CT26 cancer model. These findings broaden our understanding of how PKM2 may contribute to tumor progression and may explain the upregulation of PD-L1 in the tumor microenvironment.

Magnetic ordering of YPd{sub 2}Si-type HoNi{sub 2}Si and ErNi{sub 2}Si compounds

Energy Technology Data Exchange (ETDEWEB)

Morozkin, A.V., E-mail: morozkin@tech.chem.msu.ru [Department of Chemistry, Moscow State University, Leninskie Gory, House 1, Building 3, GSP-2, Moscow, 119992 (Russian Federation); Isnard, O. [CNRS, Insitut. Néel, 25 Rue Des Martyrs BP166 x, F-38042 Grenoble (France); Université Grenoble Alpes, Inst. Néel, F-38042 Grenoble (France); Nirmala, R. [Indian Institute of Technology Madras, Chennai 600 036 (India); Quezado, S.; Malik, S.K. [Departamento de Física Teórica e Experimental, Universidade Federal do Rio Grande do Norte, Natal 59082-970 (Brazil)

2016-12-01

Magnetic properties of YPd{sub 2}Si-type HoNi{sub 2}Si and ErNi{sub 2}Si were investigated via neutron diffraction and magnetisation measurements. HoNi{sub 2}Si and ErNi{sub 2}Si show ferromagnetic-like ordering at T{sub C} of 9 K and 7 K, respectively. The paramagnetic Weiss temperatures are 9 K and 11 K and the effective magnetic moments are 10.76 μ{sub B}/fu and 9.79 μ{sub B}/fu for HoNi{sub 2}Si and ErNi{sub 2}Si compounds, respectively. The HoNi{sub 2}Si and ErNi{sub 2}Si are soft ferromagnets with saturation magnetization of 8.1 μ{sub B}/fu and 7.5 μ{sub B}/fu, respectively at 2 K and in field of 140 kOe. The isothermal magnetic entropy change, ΔS{sub m}, has a maximum value of −15.6 J/kg·K at 10 K for HoNi{sub 2}Si and −13.9 J/kg·K at 6 K for ErNi{sub 2}Si for a field change of 50 kOe. Neutron diffraction study in zero applied field shows mixed ferromagnetic-antiferromagnetic ordering of HoNi{sub 2}Si at ~9 K and its magnetic structure is a sum of a-axis ferromagnetic F{sub a}, b-axis antiferromagnetic AF{sub b} and c-axis antiferrromagnetic AF{sub c} components of Pn′a2{sub 1}′={1, m_x′/[1/2, 1/2, 1/2], 2_y′/[0, 1/2, 0], m_z/[1/2, 0, 1/2]} magnetic space group and propagation vector K{sub 0}=[0, 0, 0]. The holmium magnetic moment reaches a value of 9.23(9) μ{sub B} at 1.5 K and the unit cell of HoNi{sub 2}Si undergoes isotropic contraction around the temperature of magnetic transition. - Graphical abstract: HoNi{sub 2}Si: mixed ferro-antiferromagnet (F{sub a}+AF{sub b}+AF{sub c}){sup K0} with Pn′a2{sub 1}′ magnetic space group and K{sub 0}=[0, 0, 0] propagation vector below 10 K. - Highlights: • Ferro-antiferromagnetic ordering is observed in HoNi{sub 2}Si at 9 K and in ErNi{sub 2}Si at 7 K. • HoNi{sub 2}Si is soft ferromagnet with ΔS{sub m} of −15.6 J/kg·K at 10 K in field of 0–50 kOe. • ErNi{sub 2}Si is soft ferromagnet with ΔS{sub m} of −13.9 J/kg·K at 6 K in field of 0–50 kOe. • HoNi{sub 2}Si shows mixed F�

Performance and Long-Term Stability of Pd/PSS and Pd/Al2O3 Membranes for Hydrogen Separation.

Science.gov (United States)

Liguori, Simona; Iulianelli, Adolfo; Dalena, Francesco; Pinacci, Pietro; Drago, Francesca; Broglia, Maria; Huang, Yan; Basile, Angelo

2014-03-06

The present work is focused on the investigation of the performance and long-term stability of two composite palladium membranes under different operating conditions. One membrane (Pd/porous stainless steel (PSS)) is characterized by a ~10 µm-thick palladium layer on a porous stainless steel substrate, which is pretreated by means of surface modification and oxidation; the other membrane (Pd/Al2O3) is constituted by a ~7 µm-thick palladium layer on an asymmetric microporous Al2O3 substrate. The operating temperature and pressure ranges, used for studying the performance of these two kinds of membranes, are 350-450 °C and 200-800 kPa, respectively. The H2 permeances and the H2/N2 selectivities of both membranes were investigated and compared with literature data. At 400 °C and 200 kPa as pressure difference, Pd/PSS and Pd/Al2O3 membranes exhibited an H2/N2 ideal selectivity equal to 11700 and 6200, respectively, showing stability for 600 h. Thereafter, H2/N2 selectivity of both membranes progressively decreased and after around 2000 h, dropped dramatically to 55 and 310 for the Pd/PSS and Pd/Al2O3 membranes, respectively. As evidenced by Scanning Electron Microscope (SEM) analyses, the pinholes appear on the whole surface of the Pd/PSS membrane and this is probably due to release of sulphur from the graphite seal rings.

Magnetic structure of the YbMn2SbBi compound

International Nuclear Information System (INIS)

Morozkin, A.V.; Manfrinetti, P.

2011-01-01

Graphical abstract: Display Omitted Research highlights: → A neutron diffraction investigation in zero applied field of La 2 O 2 S-type YbMn 2 SbBi shows antiferromagnetic ordering below 138(3) K and ferrimagnetic ordering below 112(3) K. → Between 138 and 112 K, the magnetic structure of YbMn 2 SbBi consists of antiferromagnetically coupled ab-plane magnetic moments of the manganese atoms (D 1d magnetic point group). → Below 112(3) K, the magnetic structure of YbMn 2 SbBi becames the sum antiferromagnetic component with D 1d magnetic point group and ferromagnetic one with C 2 magnetic point group. → The magnitude of Yb and Mn magnetic moments in YbMn 2 SbBi at 2 K (M Yb = 3.6(2) μ B , M Mn = 3.5(2) μ B ) correspond to the trivalent state of the Yb ions and tetravalent state of the Mn ions. - Abstract: A neutron diffraction investigation has been carried out on the trigonal La 2 O 2 S-type (hP5, space group P3-bar ml, No. 164; also CaAl 2 Si 2 -type) YbMn 2 SbBi intermetallic compound. The YbMn 2 SbBi presents antiferromagnetic ordering below 138(3) K and ferrimagnetic ordering below 112(3) K. Between 138 and 112 K, the magnetic structure of YbMn 2 SbBi consists of antiferromagnetically coupled ab-plane magnetic moments of the manganese atoms (D 1d magnetic point group). Below 112(3) K, the ferromagnetic components of Yb and Mn begin to develop, and the magnetic structure of YbMn 2 SbBi becames the sum antiferromagnetic component with D 1d magnetic point group and ferromagnetic one with C 2 magnetic point group. The magnitude of Yb and Mn magnetic moments in YbMn 2 SbBi at 2 K (M Yb = 3.6(2) μ B , M Mn = 3.5(2) μ B ) correspond to the trivalent state of the Yb ions and tetravalent state of the Mn ions.

Room temperature ferromagnetism in Fe-doped semiconductor ZrS2 single crystals

Science.gov (United States)

Muhammad, Zahir; Lv, Haifeng; Wu, Chuanqiang; Habib, Muhammad; Rehman, Zia ur; Khan, Rashid; Chen, Shuangming; Wu, Xiaojun; Song, Li

2018-04-01

Two dimensional (2D) layered magnetic materials have obtained much attention due to their intriguing properties with a potential application in the field of spintronics. Herein, room-temperature ferromagnetism with 0.2 emu g‑1 magnetic moment is realized in Fe-doped ZrS2 single crystals of millimeter size, in comparison with diamagnetic behaviour in ZrS2. The electron paramagnetic resonance spectroscopy reveals that 5.2wt% Fe-doping ZrS2 crystal exhibit high spin value of g-factor about 3.57 at room temperature also confirmed this evidence, due to the unpaired electrons created by doped Fe atoms. First principle static electronic and magnetic calculations further confirm the increased stability of long range ferromagnetic ordering and enhanced magnetic moment in Fe-doped ZrS2, originating from the Fe spin polarized electron near the Fermi level.

Calorimetric study of the intermetallic compounds UAl2 and PuAl2

International Nuclear Information System (INIS)

Trainor, R.J.; Brodsky, M.B.; Knapp, G.S.

1975-01-01

Results of low temperature specific heat measurements are presented on the strongly paramagnetic intermetallic compounds UAl 2 and PuAl 2 in the temperature intervals 0.9 to 20 0 K, respectively. These compounds are characterized by very narrow 5f bands near the Fermi energy. The low-temperature properties of UAl 2 and PuAl 2 are dominated by long lived spin fluctuations within these narrow bands. In UAl 2 a nearly field-independent T 3 logT contribution dominates the specific heat below 10 0 K, consistent with the predictions of ferromagnetic spin-fluctuation theory. The specific heat, static susceptibility, and electrical resistivity are mutually consistent with T/sub sf/ = 25 +- 10 0 K, where T/sub sf/ is the characteristic spin-fluctuation temperature of the system. Below 20 0 K, the specific heat of PuAl 2 contains a very large linear term, C greater than or approximately equal to 260T (mJ/mole- 0 K), which is approximately four times the magnitude of the measured susceptibility, when both quantities are expressed in the same units. The specific heat of PuAl 2 exhibits no anomalous behavior below 10 0 K, where a resistivity anomaly has been previously obser []ed. The properties of PuAl 2 are qualitatively discussed in terms of antiferromagnetic spin fluctuations. (auth)

Room temperature ferromagnetism and absorption red-shift in nitrogen-doped TiO2 nanoparticles

International Nuclear Information System (INIS)

Gómez-Polo, C.; Larumbe, S.; Monge, M.

2014-01-01

Highlights: • N-doped TiO 2 anatase nanoparticles were obtained by sol–gel. • The nanoparticle size, controlled by the N doping, determines lattice parameters. • Correlation between room temperature ferromagnetism and absorption red-shift. • Oxygen vacancies reinforce both phenomena. • Metal transition impurities contribute to the room temperature ferromagnetism. - Abstract: In this work, room-temperature ferromagnetism and the red-shift of the optical absorption is analyzed in nitrogen doped TiO 2 semiconductor nanoparticles. The nanoparticles were synthesized by the sol–gel method using urea as the nitrogen source. Titanium Tetraisopropoxide (TTIP) was employed as the alkoxyde precursor and dissolved in ethanol. The as prepared gels were dried and calcined in air at 300 °C. Additionally, post-annealing treatments under vacuum atmosphere were performed to modify the oxygen stoichiometry of the samples. The anatase lattice parameters, analyzed by means of powder X-ray diffractometry, depend on the nanometer grain size of the nanoparticles (increase and decrease, respectively, of the tetragonal a and c lattice parameters with respect to the bulk values). The diffuse reflectance ultraviolet–visible (UV–Vis) absorbance spectra show a clear red-shift as consequence of the nitrogen and the occurrence of intragap energy levels. The samples display ferromagnetic features at room temperature that are reinforced with the nitrogen content and after the post annealings in vacuum. The results indicate a clear correlation between the room temperature ferromagnetism and the shift of the absorbance spectrum. In both phenomena, oxygen vacancies (either induced by the nitrogen doping or by the post vacuum annealings) play a dominant role. However, we conclude the existence of very low concentration of diluted transition metal impurities that determine the room ferromagnetic response (bound magnetic polaron BMP model). The contraction of the c soft axis of the

High-field susceptibility in ferromagnetic NpOs2

International Nuclear Information System (INIS)

Dunlap, B.D.; Aldred, A.T.; Lam, D.J.; Davidson, G.R.

1975-01-01

NpOs 2 is known to be a ferromagnet with a Curie temperature of 7.5 0 K. Previous bulk magnetization measurements indicated a field-induced magnetization even well below the transition temperature. By a measurement of the local high-field susceptibility, using the Moessbauer effect in 237 Np, a susceptibility of (1.2 +- 0.2) x 10 -2 emu/mole at 1.6 0 K is obtained, in general agreement with the bulk measurement. Such a large susceptibility is best understood by a model f itinerant magnetism, although other properties of the material indicate localized behavior

In silico CrNF, a half-metallic ferromagnetic nitride–fluoride mimicking CrO2

International Nuclear Information System (INIS)

Matar, Samir F.

2014-01-01

Isoelectronic with CrO 2 , CrNF is proposed in silico based on rutile derived structures with DFT computations. The ground state structure defined from cohesive energies is of MgUO 4 -type, characterized by short covalent Cr–N and long ionic Cr–F distances. Like CrO 2 it is a half-metallic ferromagnet with M=2 μ B /FU integer magnetization with reduced band gap at minority spins. Major difference of magnetic response to pressure characterizes CrNF as a soft ferromagnet versus hard magnetic CrO 2 . The chemical bonding properties point to prevailing covalent Cr–N versus ionic Cr–F bonding. Different synthesis routes are examined. - Highlights: • DFT identification of CrNF is based on isoelectronicity and rutile derivatives. • Similarly to CrO 2 , CrNF is a half-metallic ferromagnet with reduced band gap. • Strong pressure dependence of magnetization of CrNF oppositely to CrO 2 . • Covalent Cr–N bonding prevails in spite of the presence of ionic Cr–F. • Cohesive energies favor the synthesis for which protocols are proposed

Ferromagnetism and nonmetallic transport of thin-film α-FeSi(2): a stabilized metastable material.

Science.gov (United States)

Cao, Guixin; Singh, D J; Zhang, X-G; Samolyuk, German; Qiao, Liang; Parish, Chad; Jin, Ke; Zhang, Yanwen; Guo, Hangwen; Tang, Siwei; Wang, Wenbin; Yi, Jieyu; Cantoni, Claudia; Siemons, Wolter; Payzant, E Andrew; Biegalski, Michael; Ward, T Z; Mandrus, David; Stocks, G M; Gai, Zheng

2015-04-10

A metastable phase α-FeSi_{2} was epitaxially stabilized on a silicon substrate using pulsed laser deposition. Nonmetallic and ferromagnetic behaviors are tailored on α-FeSi_{2} (111) thin films, while the bulk material of α-FeSi_{2} is metallic and nonmagnetic. The transport property of the films renders two different conducting states with a strong crossover at 50 K, which is accompanied by the onset of a ferromagnetic transition as well as a substantial magnetoresistance. These experimental results are discussed in terms of the unusual electronic structure of α-FeSi_{2} obtained within density functional calculations and Boltzmann transport calculations with and without strain. Our finding sheds light on achieving ferromagnetic semiconductors through both their structure and doping tailoring, and provides an example of a tailored material with rich functionalities for both basic research and practical applications.

Explanation of ferromagnetism origin in C-doped ZnO by first principle calculations

International Nuclear Information System (INIS)

El Amiri, A.; Lassri, H.; Hlil, E.K.; Abid, M.

2015-01-01

By ab-initio calculations, we systematically study possible source of ferromagnetism C-doped ZnO compound. The electronic structure and magnetic properties of C-doped ZnO with / without ZnO host and C defects were investigated using the Korringa–Kohn–Rostoker (KKR) method combined with coherent potential approximation (CPA). We show that Zn vacancy and presence of C defects (substitutional, interstitial or combination of both) induce the ferromagnetism in C-doped ZnO. From density of state (DOS) analysis, we show that p–p interaction between C atoms and/or C and O atoms is the mechanism of ferromagnetic coupling in C-doped ZnO. - Highlights: • We study the effect of ZnO host and C defects on ferromagnetism in C-doped ZnO. • Details of KKR method calculations performed to investigate both magnetic and electronic structures. • Magnetic moments, total and partial DOS for C-doped ZnO are well calculated and discussed. • Based on DOS calculations we interpret a origin of ferromagnetism in C-doped ZnO. • Mechanism of ferromagnetic coupling is well proposed

Explanation of ferromagnetism origin in C-doped ZnO by first principle calculations

Energy Technology Data Exchange (ETDEWEB)

El Amiri, A., E-mail: aelamiri@casablanca.ma [Laboratoire de Physique Fondamentale et Appliquée (LPFA), Faculté des Sciences Ain Chock, Université Hassan II, B.P. 5366 Mâarif, Casablanca, Maroc (Morocco); Lassri, H. [Laboratoire de Physique des Matériaux, Micro-électronique, Automatique et Thermique (LPMMAT). Faculté des Sciences Ain Chock, Université Hassan II, B.P. 5366 Mâarif, Casablanca, Maroc (Morocco); Hlil, E.K. [Institut Néel, CNRS et Université Joseph Fourier, BP 166, 38042 Grenoble (France); Abid, M. [Laboratoire de Physique Fondamentale et Appliquée (LPFA), Faculté des Sciences Ain Chock, Université Hassan II, B.P. 5366 Mâarif, Casablanca, Maroc (Morocco)

2015-01-15

By ab-initio calculations, we systematically study possible source of ferromagnetism C-doped ZnO compound. The electronic structure and magnetic properties of C-doped ZnO with / without ZnO host and C defects were investigated using the Korringa–Kohn–Rostoker (KKR) method combined with coherent potential approximation (CPA). We show that Zn vacancy and presence of C defects (substitutional, interstitial or combination of both) induce the ferromagnetism in C-doped ZnO. From density of state (DOS) analysis, we show that p–p interaction between C atoms and/or C and O atoms is the mechanism of ferromagnetic coupling in C-doped ZnO. - Highlights: • We study the effect of ZnO host and C defects on ferromagnetism in C-doped ZnO. • Details of KKR method calculations performed to investigate both magnetic and electronic structures. • Magnetic moments, total and partial DOS for C-doped ZnO are well calculated and discussed. • Based on DOS calculations we interpret a origin of ferromagnetism in C-doped ZnO. • Mechanism of ferromagnetic coupling is well proposed.

Selective coupling reaction between 2,6-diiodoanisoles and terminal alkynes catalyzed by Pd(PPh32Cl2 and CuI

Directory of Open Access Journals (Sweden)

Allan F. C. Rossini

2012-06-01

Full Text Available The cross-coupling reaction between aryl halides and terminal alkynes, catalyzed by palladium complexes and copper (I salts, consists in an efficient synthetic tool for the formation of C-C bonds, resulting in disubstituted acetylenic compounds. Accordingly, in this work we present our preliminary results involving the selective cross-coupling reaction between 2,6-diiodoanisoles and terminal alkynes, catalyzed by Pd(PPh32Cl2 and CuI, in the formation of 2-iodo-alkynylanisoles (scheme 1.

Spiral correlations in frustrated one-dimensional spin-1/2 Heisenberg J1-J2-J3 ferromagnets

International Nuclear Information System (INIS)

Zinke, R; Richter, J; Drechsler, S-L

2010-01-01

We use the coupled cluster method for infinite chains complemented by exact diagonalization of finite periodic chains to discuss the influence of a third-neighbor exchange J 3 on the ground state of the spin- 1/2 Heisenberg chain with ferromagnetic nearest-neighbor interaction J 1 and frustrating antiferromagnetic next-nearest-neighbor interaction J 2 . A third-neighbor exchange J 3 might be relevant to describe the magnetic properties of the quasi-one-dimensional edge-shared cuprates, such as LiVCuO 4 or LiCu 2 O 2 . In particular, we calculate the critical point J 2 c as a function of J 3 , where the ferromagnetic ground state gives way for a ground state with incommensurate spiral correlations. For antiferromagnetic J 3 the ferro-spiral transition is always continuous and the critical values J 2 c of the classical and the quantum model coincide. On the other hand, for ferromagnetic J 3 ∼ 1 | the critical value J 2 c of the quantum model is smaller than that of the classical model. Moreover, the transition becomes discontinuous, i.e. the model exhibits a quantum tricritical point. We also calculate the height of the jump of the spiral pitch angle at the discontinuous ferro-spiral transition.

The half-metallic ferromagnetism character in Be1-xVxY (Y=Se and Te) alloys: An ab-initio study

Science.gov (United States)

Sajjad, M.; Manzoor, Sadia; Zhang, H. X.; Noor, N. A.; Alay-e-Abbas, S. M.; Shaukat, A.; Khenata, R.

2015-04-01

Ab-initio calculations for V-doped BeSe and BeTe semiconductors are performed by means of all-electrons full-potential linearized augmented plane wave plus local orbital (FP-LAPW+lo) method. The structural properties are optimized using the Wu-Cohen generalized gradient approximation functional, whereas modified Becke and Jhonson local density approximation functional has been employed for evaluating the spin-polarized electronic and magnetic properties. Magnetic stability at various doping concentrations in ferromagnetic (FM) and anti-ferromagnetic (AFM) ordering is investigated by comparing the minimum total energies and enthalpies of formation (ΔH). Studied band structures, density of states, total energy, exchange interactions and magnetic moments manifest both alloys with half-metallic ferromagnetic behavior. Moreover, their valance bands are found to be paired ferromagnetically with V atoms. Furthermore, it was observed that the magnetic moment of vanadium atom reduces from free space charge value due to p-d hybridization which yields small magnetic moments on the Be, Se and Te sites.

The effect of Pd ensemble structure on the O2 dissociation and CO oxidation mechanisms on Au—Pd(100) surface alloys

Science.gov (United States)

Oǧuz, Ismail-Can; Mineva, Tzonka; Guesmi, Hazar

2018-01-01

The reactivity of various Pd ensembles on the Au—Pd(100) alloy catalyst toward CO oxidation was investigated by using density functional theory (DFT). This study was prompted by the search for efficient catalysts operating at low temperature for the CO oxidation reaction that is of primary environmental importance. To this aim, we considered Pd modified Au(100) surfaces including Pd monomers, Pd dimers, second neighboring Pd atoms, and Pd chains in a comparative study of the minimum energy reaction pathways. The effect of dispersion interactions was included in the calculations of the O2 dissociation reaction pathway by using the DFT-D3 scheme. The addition of the dispersion interaction strongly improves the adsorption ability of O2 on the Au—Pd surface but does not affect the activation energy barriers of the Transitions States (TSs). As for O2 to dissociate, it is imperative that the TS has lower activation energy than the O2 desorption energy. DFT-D3 is found to favor, in some cases, O2 dissociation on configurations being identified from uncorrected DFT calculations as inactive. This is the case of the second neighboring Pd configuration for which uncorrected DFT predicts positive Gibbs free energy (ΔG) of the O2 adsorption, therefore an endergonic reaction. With the addition of D3 correction, ΔG becomes negative that reveals a spontaneous O2 adsorption. Among the investigated Au—Pd (100) ensembles, the Pd chain dissociates most easily O2 and highly stabilizes the dissociated O atoms; however, it has an inferior reactivity toward CO oxidation and CO2 formation. Indeed, CO strongly adsorbs on the palladium bridge sites and therefore poisoning the surface Pd chain. By contrast, the second neighboring Pd configuration that shows somewhat lower ability to dissociate O2 turns out to be more reactive in the CO2 formation step. These results evidence the complex effect of Pd ensembles on the CO oxidation reaction. Associative CO oxidation proceeds with high

In situ attenuated total reflection infrared (ATR-IR) study of the adsorption of NO2-, NH2OH, and NH4+ on Pd/Al2O3 and Pt/Al2O3.

NARCIS (Netherlands)

Ebbesen, S.D.; Mojet, Barbara; Lefferts, Leonardus

2008-01-01

In relation to the heterogeneous hydrogenation of nitrite, adsorption of NO2-, NH4+, and NH2OH from the aqueous phase was examined on Pt/Al2O3, Pd/Al2O3, and Al2O3. None of the investigated inorganic nitrogen compounds adsorb on alumina at conditions presented in this study. NO2-(aq) and NH4+(aq) on

Magneto-optical and magnetic properties in a Co/Pd multilayered thin film

Energy Technology Data Exchange (ETDEWEB)

Nwokoye, Chidubem A. [Institute for Magnetics Research, Department of Electrical and Computer Engineering, The George Washington University, DC 20052 (United States); Naval Air Systems Command, Avionics, Sensors and E*Warfare Department, Patuxent River, MD 20670 (United States); Bennett, Lawrence H., E-mail: lbennett@gwu.edu [Institute for Magnetics Research, Department of Electrical and Computer Engineering, The George Washington University, DC 20052 (United States); Della Torre, Edward, E-mail: edt@gwu.edu [Institute for Magnetics Research, Department of Electrical and Computer Engineering, The George Washington University, DC 20052 (United States); Ghahremani, Mohammadreza [Institute for Magnetics Research, Department of Electrical and Computer Engineering, The George Washington University, DC 20052 (United States); Narducci, Frank A. [Naval Air Systems Command, Avionics, Sensors and E*Warfare Department, Patuxent River, MD 20670 (United States)

2017-01-01

The paper describes investigation of ferromagnetism at low temperatures. We explored the magneto-optical properties, influenced by photon–magnon interactions, of a ferromagnetic Co/Pd multilayered thin film below and above the magnon Bose–Einstein Condensation (BEC) temperature. Analyses of SQUID and MOKE low temperature experimental results reveal a noticeable phase transition in both magnetic and magneto-optical properties of the material at the BEC temperature. - Highlights: • The results show the effect of a non-zero chemical potential on the magnetization. • The MOKE and SQUID results show a phase transition point at the same temperature. • Magnon BEC is a major influence of the observed phase transition temperature.

Influence of Magnetic Ordering between Cr Adatoms on the Yu-Shiba-Rusinov States of the β -Bi2Pd Superconductor

Science.gov (United States)

Choi, Deung-Jang; Fernández, Carlos García; Herrera, Edwin; Rubio-Verdú, Carmen; Ugeda, Miguel M.; Guillamón, Isabel; Suderow, Hermann; Pascual, José Ignacio; Lorente, Nicolás

2018-04-01

We show that the magnetic ordering of coupled atomic dimers on a superconductor is revealed by their intragap spectral features. Chromium atoms on the superconductor β -Bi2Pd surface display Yu-Shiba-Rusinov bound states, detected as pairs of intragap excitations in tunneling spectra. By means of atomic manipulation with a scanning tunneling microscope's tip, we form Cr dimers with different arrangements and find that their intragap features appear either shifted or split with respect to single atoms. These spectral variations are associated with the magnetic coupling, ferromagnetic or antiferromagnetic, of the dimer, as confirmed by density functional theory simulations. The striking qualitative differences between the observed tunneling spectra prove that intragap Shiba states are extremely sensitive to the magnetic ordering on the atomic scale.

Scaling Behavior of the Spin Pumping Effect in Ferromagnet-Platinum Bilayers

Science.gov (United States)

Czeschka, F. D.; Dreher, L.; Brandt, M. S.; Weiler, M.; Althammer, M.; Imort, I.-M.; Reiss, G.; Thomas, A.; Schoch, W.; Limmer, W.; Huebl, H.; Gross, R.; Goennenwein, S. T. B.

2011-07-01

We systematically measured the dc voltage VISH induced by spin pumping together with the inverse spin Hall effect in ferromagnet-platinum bilayer films. In all our samples, comprising ferromagnetic 3d transition metals, Heusler compounds, ferrite spinel oxides, and magnetic semiconductors, VISH invariably has the same polarity, and scales with the magnetization precession cone angle. These findings, together with the spin mixing conductance derived from the experimental data, quantitatively corroborate the present theoretical understanding of spin pumping in combination with the inverse spin Hall effect.

Preparation of 103Pd seeds. Part 2. 'Molecular Plating' of 103Pd onto copper rod

International Nuclear Information System (INIS)

Chunfu Zhang; Yongxian Wang; Haibin Tian; Duanzhi Yin

2002-01-01

A method for 103 Pd 'molecular plating' onto the surface of the copper rod is reported. The optimal composition of the plating bath was: palladium chloride 2 g/l, ammonium hydroxide (28%) 150 ml/l, sodium hypophosphite 12 g/l, and ammonium chloride 37 g/l. The whole procedure of 103 Pd 'molecular plating' will last 50 minutes at 40 deg C. Valuable experience for the preparation of 103 Pd seeds is provided. (author)

Enhancement in the catalytic activity of Pd/USY in the heck reaction induced by H2 bubbling.

Science.gov (United States)

Okumura, Kazu; Tomiyama, Takuya; Moriyama, Sayaka; Nakamichi, Ayaka; Niwa, Miki

2010-12-24

Pd was loaded on ultra stable Y (USY) zeolites prepared by steaming NH(4)-Y zeolite under different conditions. Heck reactions were carried out over the prepared Pd/USY. We found that H₂ bubbling was effective in improving not only the catalytic activity of Pd/USY, but also that of other supported Pd catalysts and Pd(OAc)₂. Moreover, the catalytic activity of Pd/USY could be optimized by choosing appropriate steaming conditions for the preparation of the USY zeolites; Pd loaded on USY prepared at 873 K with 100% H₂O gave the highest activity (TOF = 61,000 h⁻¹), which was higher than that of Pd loaded on other kinds of supports. The prepared Pd/USY catalysts were applicable to the Heck reactions using various kinds of substrates including bromo- and chloro-substituted aromatic and heteroaromatic compounds. Characterization of the acid properties of the USY zeolites revealed that the strong acid site (OH(strong)) generated as a result of steaming had a profound effect on the catalytic activity of Pd.

Novel room temperature ferromagnetic semiconductors

Energy Technology Data Exchange (ETDEWEB)

Gupta, Amita [KTH Royal Inst. of Technology, Stockholm (Sweden)

2004-06-01

Today's information world, bits of data are processed by semiconductor chips, and stored in the magnetic disk drives. But tomorrow's information technology may see magnetism (spin) and semiconductivity (charge) combined in one 'spintronic' device that exploits both charge and 'spin' to carry data (the best of two worlds). Spintronic devices such as spin valve transistors, spin light emitting diodes, non-volatile memory, logic devices, optical isolators and ultra-fast optical switches are some of the areas of interest for introducing the ferromagnetic properties at room temperature in a semiconductor to make it multifunctional. The potential advantages of such spintronic devices will be higher speed, greater efficiency, and better stability at a reduced power consumption. This Thesis contains two main topics: In-depth understanding of magnetism in Mn doped ZnO, and our search and identification of at least six new above room temperature ferromagnetic semiconductors. Both complex doped ZnO based new materials, as well as a number of nonoxides like phosphides, and sulfides suitably doped with Mn or Cu are shown to give rise to ferromagnetism above room temperature. Some of the highlights of this work are discovery of room temperature ferromagnetism in: (1) ZnO:Mn (paper in Nature Materials, Oct issue, 2003); (2) ZnO doped with Cu (containing no magnetic elements in it); (3) GaP doped with Cu (again containing no magnetic elements in it); (4) Enhancement of Magnetization by Cu co-doping in ZnO:Mn; (5) CdS doped with Mn, and a few others not reported in this thesis. We discuss in detail the first observation of ferromagnetism above room temperature in the form of powder, bulk pellets, in 2-3 mu-m thick transparent pulsed laser deposited films of the Mn (<4 at. percent) doped ZnO. High-resolution transmission electron microscopy (HRTEM) and electron energy loss spectroscopy (EELS) spectra recorded from 2 to 200nm areas showed homogeneous

Annealing temperature dependent non-monotonic d{sup 0} ferromagnetism in pristine In{sub 2}O{sub 3} nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Cao, Haiming; Xing, Pengfei, E-mail: pfxing@tju.edu.cn; Yao, Dongsheng; Wu, Ping

2017-05-01

Cubic bixbyite In{sub 2}O{sub 3} nanoparticles with room temperature d{sup 0} ferromagnetism were prepared by sol-gel method with the air annealing temperature ranging from 500 to 900 °C. X-ray diffraction, X-ray photoelectron spectroscopy, Raman-scattering and photoluminescence were carried out to demonstrate the presence of oxygen vacancies. The lattice constant, the atomic ratio of crystal O and In, the Raman peak at 369 cm{sup −1}, the PL emission peak at 396 nm and the saturation magnetization of d{sup 0} ferromagnetism all had a consistent non-monotonic change with the increasing annealing temperature. With further considering the relation between the grain size and the distribution of oxygen vacancies, we think that d{sup 0} ferromagnetism in our samples is directly related with the singly charged oxygen vacancies at the surface of In{sub 2}O{sub 3} nanoparticles. - Highlights: • Effect of air-annealing temperature on the d{sup 0} ferromagnetism of pure In{sub 2}O{sub 3}. • Oxygen-deficiency states of all samples were detected by Raman scattering and PL. • Ferromagnetism changes non-monotonically with the increasing annealing temperature. • d{sup 0} ferromagnetism in our In{sub 2}O{sub 3} nanoparticles is related with the surface V{sub O}{sup +}.

Efficient buchwald hartwig reaction catalyzed by spions-bis(NHC-Pd(II

Directory of Open Access Journals (Sweden)

Marzieh Ghotbinejad

2016-01-01

Full Text Available A powerful and convenient reaction procedure for the C-N coupling reaction (the Buchwald-Hartwig reaction, yielding products of N-arylanilines and N-arylamines in both conventional heating and microwave irradiation has been reported. The protocol utilizes a stable and new supper ferromagnetic nanoparticle chelating N-heterocyclic dicarbene palladium(II complex (Pd-NHC as catalyst which helps/allows us to complete the reaction with only 0.002 mol% Pd producing high yield products. We also examined the reusability of the catalyst. It was found that the catalyst could be recovered by external magnetic field and  reused for seven times without obvious loss in catalytic activity.

Influence of Ti addition on the room temperature ferromagnetism of tin oxide (SnO{sub 2}) nanocrystal

Energy Technology Data Exchange (ETDEWEB)

Sakthiraj, K.; Balachandrakumar, K., E-mail: dkbaldr@gmail.com

2015-12-01

Nano-crystalline Sn{sub 1−x}Ti{sub x}O{sub 2} (x=0.00, 0.02, 0.05 and 0.07) particles were synthesized by the sol–gel method without any surfactant and dispersant material. The X-ray diffraction (XRD) pattern shows the formation of the tetragonal rutile phase structure for the undoped SnO{sub 2} nanoparticle and Ti doping does not alter the structure of undoped tin oxide. Due to quantum confinement effect, a larger optical band gap for as-synthesized materials was found. Vibrating sample magnetometer (VSM) result demonstrates the undoped and 2% Ti doped SnO{sub 2} samples exhibit perfect room temperature ferromagnetism (RTFM) but 5% and 7% of Ti doped samples show a weak ferromagnetism with diamagnetic contribution. The ferromagnetic property of the material was initiated with the help of oxygen vacancy. The amount of oxygen vacancy present in the samples were identified from the photoluminescence spectra and the value of oxygen vacancy decreased with increasing Ti concentration. - Highlights: • Pure Ti doped and undoped SnO{sub 2} nanocrystal were prepared using sol–gel method. • Oxygen vacancy induced RTFM was observed in SnO{sub 2} nanostructures. • Higher amount of ferromagnetism was detected in pristine SnO{sub 2} nanocrystal. • Ferromagnetic property was decreased with increasing Ti concentration. • Redshift of energy band gap was noted with increasing Ti content.

Higgs transition from a magnetic Coulomb liquid to a ferromagnet in Yb2Ti2O7

Science.gov (United States)

Chang, Lieh-Jeng; Onoda, Shigeki; Su, Yixi; Kao, Ying-Jer; Tsuei, Ku-Ding; Yasui, Yukio; Kakurai, Kazuhisa; Lees, Martin Richard

2012-01-01

In a class of frustrated magnets known as spin ice, magnetic monopoles emerge as classical defects and interact via the magnetic Coulomb law. With quantum-mechanical interactions, these magnetic charges are carried by fractionalized bosonic quasi-particles, spinons, which can undergo Bose–Einstein condensation through a first-order transition via the Higgs mechanism. Here, we report evidence of a Higgs transition from a magnetic Coulomb liquid to a ferromagnet in single-crystal Yb2Ti2O7. Polarized neutron scattering experiments show that the diffuse [111]-rod scattering and pinch-point features, which develop on cooling are suddenly suppressed below TC~0.21 K, where magnetic Bragg peaks and a full depolarization of the neutron spins are observed with thermal hysteresis, indicating a first-order ferromagnetic transition. Our results are explained on the basis of a quantum spin-ice model, whose high-temperature phase is effectively described as a magnetic Coulomb liquid, whereas the ground state shows a nearly collinear ferromagnetism with gapped spin excitations. PMID:22871811

An effective correlated mean-field theory applied in the spin-1/2 Ising ferromagnetic model

Energy Technology Data Exchange (ETDEWEB)

Roberto Viana, J.; Salmon, Octávio R. [Universidade Federal do Amazonas – UFAM, Manaus 69077-000, AM (Brazil); Ricardo de Sousa, J. [Universidade Federal do Amazonas – UFAM, Manaus 69077-000, AM (Brazil); National Institute of Science and Technology for Complex Systems, Universidade Federal do Amazonas, 3000, Japiim, 69077-000 Manaus, AM (Brazil); Neto, Minos A.; Padilha, Igor T. [Universidade Federal do Amazonas – UFAM, Manaus 69077-000, AM (Brazil)

2014-11-15

We developed a new treatment for mean-field theory applied in spins systems, denominated effective correlated mean-field (ECMF). We apply this theory to study the spin-1/2 Ising ferromagnetic model with nearest-neighbor interactions on a square lattice. We use clusters of finite sizes and study the criticality of the ferromagnetic system, where we obtain a convergence of critical temperature for the value k{sub B}T{sub c}/J≃2.27905±0.00141. Also the behavior of magnetic and thermodynamic properties, using the condition of minimum energy of the physical system is obtained. - Highlights: • We developed spin models to study real magnetic systems. • We study the thermodynamic and magnetic properties of the ferromagnetism. • We enhanced a mean-field theory applied in spins models.

Ternary indides Eu{sub 2}Pd{sub 2}In and Eu{sub 2}Pt{sub 2}In

Energy Technology Data Exchange (ETDEWEB)

Muts, Ihor [Inorganic Chemistry Department, Ivan Franko National University of Lviv (Ukraine); Institut fuer Anorganische und Analytische Chemie, Westfaelische Wilhelms-Universitaet Muenster (Germany); Zaremba, Vasyl I. [Inorganic Chemistry Department, Ivan Franko National University of Lviv (Ukraine); Poettgen, Rainer [Institut fuer Anorganische und Analytische Chemie, Westfaelische Wilhelms-Universitaet Muenster (Germany)

2012-01-15

The indides Eu{sub 2}Pd{sub 2}In and Eu{sub 2}Pt{sub 2}In were synthesized from the elements in sealed tantalum tubes in an induction furnace. The samples were characterized by powder X-ray diffraction. The structures were refined on the basis of single-crystal X-ray diffractometer data: HT-Pr{sub 2}Co{sub 2}Al type, C2/c, a = 1035.7(2), b = 592.9(1), c = 823.6(2) pm, β = 104.26(1) , wR2 = 0.026, 1075 F{sup 2} values, 25 variables for Eu{sub 2}Pd{sub 2}In and a = 1017.2(2), b = 588.7(1), c = 826.5(1) pm, β = 103.76(1) , wR2 = 0.062, 706 F{sup 2} values, 25 variables for Eu{sub 2}Pt{sub 2}In. The indium atoms have four platinum (palladium) neighbors in strongly distorted tetrahedral coordination at Pt-In and Pd-In distances ranging from 273 to 275 pm. These InPd{sub 4/2} and InPt{sub 4/2} units are condensed via common edges to infinite InPd{sub 2} and InPt{sub 2} chains, which are surrounded by the europium atoms. The chains form the motif of hexagonal rod packing. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Dirac Magnons in Honeycomb Ferromagnets

Directory of Open Access Journals (Sweden)

Sergey S. Pershoguba

2018-01-01

Full Text Available The discovery of the Dirac electron dispersion in graphene [A. H. Castro Neto, et al., The Electronic Properties of Graphene, Rev. Mod. Phys. 81, 109 (2009RMPHAT0034-686110.1103/RevModPhys.81.109] led to the question of the Dirac cone stability with respect to interactions. Coulomb interactions between electrons were shown to induce a logarithmic renormalization of the Dirac dispersion. With a rapid expansion of the list of compounds and quasiparticle bands with linear band touching [T. O. Wehling, et al., Dirac Materials, Adv. Phys. 63, 1 (2014ADPHAH0001-873210.1080/00018732.2014.927109], the concept of bosonic Dirac materials has emerged. We consider a specific case of ferromagnets consisting of van der Waals-bonded stacks of honeycomb layers, e.g., chromium trihalides CrX_{3} (X=F, Cl, Br and I, that display two spin wave modes with energy dispersion similar to that for the electrons in graphene. At the single-particle level, these materials resemble their fermionic counterparts. However, how different particle statistics and interactions affect the stability of Dirac cones has yet to be determined. To address the role of interacting Dirac magnons, we expand the theory of ferromagnets beyond the standard Dyson theory [F. J. Dyson, General Theory of Spin-Wave Interactions, Phys. Rev. 102, 1217 (1956PHRVAO0031-899X10.1103/PhysRev.102.1217, F. J. Dyson, Thermodynamic Behavior of an Ideal Ferromagnet, Phys. Rev. 102, 1230 (1956PHRVAO0031-899X10.1103/PhysRev.102.1230] to the case of non-Bravais honeycomb layers. We demonstrate that magnon-magnon interactions lead to a significant momentum-dependent renormalization of the bare band structure in addition to strongly momentum-dependent magnon lifetimes. We show that our theory qualitatively accounts for hitherto unexplained anomalies in nearly half-century-old magnetic neutron-scattering data for CrBr_{3} [W. B. Yelon and R. Silberglitt, Renormalization of Large-Wave-Vector Magnons in

Dirac Magnons in Honeycomb Ferromagnets

Science.gov (United States)

Pershoguba, Sergey S.; Banerjee, Saikat; Lashley, J. C.; Park, Jihwey; Ågren, Hans; Aeppli, Gabriel; Balatsky, Alexander V.

2018-01-01

The discovery of the Dirac electron dispersion in graphene [A. H. Castro Neto, et al., The Electronic Properties of Graphene, Rev. Mod. Phys. 81, 109 (2009), 10.1103/RevModPhys.81.109] led to the question of the Dirac cone stability with respect to interactions. Coulomb interactions between electrons were shown to induce a logarithmic renormalization of the Dirac dispersion. With a rapid expansion of the list of compounds and quasiparticle bands with linear band touching [T. O. Wehling, et al., Dirac Materials, Adv. Phys. 63, 1 (2014), 10.1080/00018732.2014.927109], the concept of bosonic Dirac materials has emerged. We consider a specific case of ferromagnets consisting of van der Waals-bonded stacks of honeycomb layers, e.g., chromium trihalides CrX3 (X =F , Cl, Br and I), that display two spin wave modes with energy dispersion similar to that for the electrons in graphene. At the single-particle level, these materials resemble their fermionic counterparts. However, how different particle statistics and interactions affect the stability of Dirac cones has yet to be determined. To address the role of interacting Dirac magnons, we expand the theory of ferromagnets beyond the standard Dyson theory [F. J. Dyson, General Theory of Spin-Wave Interactions, Phys. Rev. 102, 1217 (1956), 10.1103/PhysRev.102.1217, F. J. Dyson, Thermodynamic Behavior of an Ideal Ferromagnet, Phys. Rev. 102, 1230 (1956), 10.1103/PhysRev.102.1230] to the case of non-Bravais honeycomb layers. We demonstrate that magnon-magnon interactions lead to a significant momentum-dependent renormalization of the bare band structure in addition to strongly momentum-dependent magnon lifetimes. We show that our theory qualitatively accounts for hitherto unexplained anomalies in nearly half-century-old magnetic neutron-scattering data for CrBr3 [W. B. Yelon and R. Silberglitt, Renormalization of Large-Wave-Vector Magnons in Ferromagnetic CrBr3 Studied by Inelastic Neutron Scattering: Spin-Wave Correlation

Investigation of Gd compounds using synchrotron radiation

International Nuclear Information System (INIS)

Tyszka, B.; Szade, J.; Burian, W.; Skorek, G.; Deniszczyk, J.; Sikora, M.; Zajac, D.; Kapusta, Cz.; Matteucci, M.; Bondino, F.; Zacchigna, M.; Zangrando, M.

2005-01-01

The electronic structure of ferromagnetic compound GdTiGe has been investigated using element sensitive methods-X-ray absorption spectroscopy (XAS), X-ray magnetic circular dichroism (XMCD) and resonant inelastic X-ray scattering (RIXS). Additionally, another ferromagnet GdTiSi has been studied using XMCD. XMCD revealed a strong dichroic signal at Gd L 2 and L 3 edges, which can be related to polarisation of Gd 5d band. XAS at Ti L 2,3 edges has exhibited a structure which appeared to be in general agreement with the LAPW calculations. RIXS spectra have shown some resonance features for photon energies close to Ti L 2 and Gd M 5 edges

Perfect GMR effect in gapped graphene-based ferromagnetic normal ferromagnetic junctions

Institute of Scientific and Technical Information of China (English)

Hossein Karbaschi; Gholam Reza Rashedi

2015-01-01

We investigate the quantum transport property in gapped graphene-based ferromagnetic/normal/ferromagnetic (FG/NG/FG) junctions by using the Dirac–Bogoliubov–de Gennes equation. The graphene is fabricated on SiC and BN substrates separately, so carriers in FG/NG/FG structures are considered as massive relativistic particles. Transmission prob-ability, charge, and spin conductances are studied as a function of exchange energy of ferromagnets (h), size of graphene gap, and thickness of normal graphene region (L) respectively. Using the experimental values of Fermi energy in the normal graphene part (EFN∼400 meV) and energy gap in graphene (260 meV for SiC and 50 meV for BN substrate), it is shown that this structure can be used for both spin-up and spin-down polarized current. The latter case has different behavior of gapped FG/NG/FG from that of gapless FG/NG/FG structures. Also perfect charge giant magnetoresistance is observed in a range of EFN−mv2F2F.

Observation of Room-Temperature Magnetoresistance in Monolayer MoS2 by Ferromagnetic Gating.

Science.gov (United States)

Jie, Wenjing; Yang, Zhibin; Zhang, Fan; Bai, Gongxun; Leung, Chi Wah; Hao, Jianhua

2017-07-25

Room-temperature magnetoresistance (MR) effect is observed in heterostructures of wafer-scale MoS 2 layers and ferromagnetic dielectric CoFe 2 O 4 (CFO) thin films. Through the ferromagnetic gating, an MR ratio of -12.7% is experimentally achieved in monolayer MoS 2 under 90 kOe magnetic field at room temperature (RT). The observed MR ratio is much higher than that in previously reported nonmagnetic metal coupled with ferromagnetic insulator, which generally exhibited MR ratio of less than 1%. The enhanced MR is attributed to the spin accumulation at the heterostructure interface and spin injection to the MoS 2 layers by the strong spin-orbit coupling effect. The injected spin can contribute to the spin current and give rise to the MR by changing the resistance of MoS 2 layers. Furthermore, the MR effect decreases as the thickness of MoS 2 increases, and the MR ratio becomes negligible in MoS 2 with thickness more than 10 layers. Besides, it is interesting to find a magnetic field direction dependent spin Hall magnetoresistance that stems from a combination of the spin Hall and the inverse spin Hall effects. Our research provides an insight into exploring RT MR in monolayer materials, which should be helpful for developing ultrathin magnetic storage devices in the atomically thin limit.

Insertion of a single-molecule magnet inside a ferromagnetic lattice based on a 3D bimetallic oxalate network: towards molecular analogues of permanent magnets.

Science.gov (United States)

Clemente-León, Miguel; Coronado, Eugenio; Gómez-García, Carlos J; López-Jordà, Maurici; Camón, Agustín; Repollés, Ana; Luis, Fernando

2014-02-03

The insertion of the single-molecule magnet (SMM) [Mn(III)(salen)(H2O)]2(2+) (salen(2-) = N,N'-ethylenebis-(salicylideneiminate)) into a ferromagnetic bimetallic oxalate network affords the hybrid compound [Mn(III)(salen)(H2O)]2[Mn(II)Cr(III)(ox)3]2⋅(CH3OH)⋅(CH3CN)2 (1). This cationic Mn2 cluster templates the growth of crystals formed by an unusual achiral 3D oxalate network. The magnetic properties of this hybrid magnet are compared with those of the analogous compounds [Mn(III)(salen)(H2O)]2[Zn(II)Cr(III)(ox)3]2⋅(CH3OH)⋅(CH3CN)2 (2) and [In(III)(sal2-trien)][Mn(II)Cr(III)(ox)3]⋅(H2O)0.25⋅(CH3OH)0.25⋅(CH3CN)0.25 (3), which are used as reference compounds. In 2 it has been shown that the magnetic isolation of the Mn2 clusters provided by their insertion into a paramagnetic oxalate network of Cr(III) affords a SMM behavior, albeit with blocking temperatures well below 500 mK even for frequencies as high as 160 kHz. In 3 the onset of ferromagnetism in the bimetallic Mn(II) Cr(III) network is observed at Tc = 5 K. Finally, in the hybrid compound 1 the interaction between the two magnetic networks leads to the antiparallel arrangement of their respective magnetizations, that is, to a ferrimagnetic phase. This coupling induces also important changes on the magnetic properties of 1 with respect to those of the reference compounds 2 and 3. In particular, compound 1 shows a large magnetization hysteresis below 1 K, which is in sharp contrast with the near-reversible magnetizations that the SMMs and the oxalate ferromagnetic lattice show under the same conditions. Copyright © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Crystal growth and magnetic property of a new compound CeAu4Si2

International Nuclear Information System (INIS)

Nakashima, Hiroshi; Thamizhavel, Arumugam; Matsuda, Tatsuma D.; Haga, Yoshinori; Takeuchi, Tetsuya; Sugiyama, Kiyohiro; Settai, Rikio; Onuki, Yoshichika

2006-01-01

We have succeeded in growing a new ternary Ce compound CeAu 4 Si 2 . This compound crystallizes in the tetragonal crystal structure P4-bar m2 (-bar 1-bar 1-bar 5) with lattice parameters a=4.3304 -bar A and c=27.409 -bar A. The local environment around Ce atoms is similar to that of the well-known ThCr 2 Si 2 -type tetragonal structure in CeAu 2 Si 2 . Single crystals of CeAu 4 Si 2 were grown by the flux method using an Au 4.37 Si eutectic alloy as flux. Electrical resistivity, specific heat and magnetization measurements revealed a ferromagnetic ordering at T C =5.3 -bar K with a saturation moment of 1.7-bar μ B /Ce. Anisotropic features in the magnetic susceptibility and magnetization were well explained by a crystalline electric field (CEF) model. Estimated excitation energies from the ground state doublet to two excited doublets are 284 and 340-bar K, respectively

Room temperature ferromagnetism and absorption red-shift in nitrogen-doped TiO{sub 2} nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Gómez-Polo, C., E-mail: gpolo@unavarra.es [Departamento de Física, Universidad Pública de Navarra, Campus de Arrosadia, 31006 Pamplona (Spain); Larumbe, S. [Departamento de Física, Universidad Pública de Navarra, Campus de Arrosadia, 31006 Pamplona (Spain); Monge, M. [Departamento de Química, Universidad de la Rioja, Centro de Investigación en Síntesis Química (CISQ), Complejo Científico Tecnológico, 26006 Logroño (Spain)

2014-11-05

Highlights: • N-doped TiO{sub 2} anatase nanoparticles were obtained by sol–gel. • The nanoparticle size, controlled by the N doping, determines lattice parameters. • Correlation between room temperature ferromagnetism and absorption red-shift. • Oxygen vacancies reinforce both phenomena. • Metal transition impurities contribute to the room temperature ferromagnetism. - Abstract: In this work, room-temperature ferromagnetism and the red-shift of the optical absorption is analyzed in nitrogen doped TiO{sub 2} semiconductor nanoparticles. The nanoparticles were synthesized by the sol–gel method using urea as the nitrogen source. Titanium Tetraisopropoxide (TTIP) was employed as the alkoxyde precursor and dissolved in ethanol. The as prepared gels were dried and calcined in air at 300 °C. Additionally, post-annealing treatments under vacuum atmosphere were performed to modify the oxygen stoichiometry of the samples. The anatase lattice parameters, analyzed by means of powder X-ray diffractometry, depend on the nanometer grain size of the nanoparticles (increase and decrease, respectively, of the tetragonal a and c lattice parameters with respect to the bulk values). The diffuse reflectance ultraviolet–visible (UV–Vis) absorbance spectra show a clear red-shift as consequence of the nitrogen and the occurrence of intragap energy levels. The samples display ferromagnetic features at room temperature that are reinforced with the nitrogen content and after the post annealings in vacuum. The results indicate a clear correlation between the room temperature ferromagnetism and the shift of the absorbance spectrum. In both phenomena, oxygen vacancies (either induced by the nitrogen doping or by the post vacuum annealings) play a dominant role. However, we conclude the existence of very low concentration of diluted transition metal impurities that determine the room ferromagnetic response (bound magnetic polaron BMP model). The contraction of the c soft axis

Pulse-driven micro gas sensor fitted with clustered Pd/SnO2 nanoparticles.

Science.gov (United States)

Suematsu, Koichi; Shin, Yuka; Ma, Nan; Oyama, Tokiharu; Sasaki, Miyuki; Yuasa, Masayoshi; Kida, Tetsuya; Shimanoe, Kengo

2015-08-18

Real-time monitoring of specific gas concentrations with a compact and portable gas sensing device is required to sense potential health risk and danger from toxic gases. For such purposes, we developed an ultrasmall gas sensor device, where a micro sensing film was deposited on a micro heater integrated with electrodes fabricated by the microelectromechanical system (MEMS) technology. The developed device was operated in a pulse-heating mode to significantly reduce the heater power consumption and make the device battery-driven and portable. Using clustered Pd/SnO2 nanoparticles, we succeeded in introducing mesopores ranging from 10 to 30 nm in the micro gas sensing film (area: ϕ 150 μm) to detect large volatile organic compounds (VOCs). The micro sensor showed quick, stable, and high sensor responses to toluene at ppm (parts per million) concentrations at 300 °C even by operating the micro heater in a pulse-heating mode where switch-on and -off cycles were repeated at one-second intervals. The high performance of the micro sensor should result from the creation of efficient diffusion paths decorated with Pd sensitizers by using the clustered Pd/SnO2 nanoparticles. Hence we demonstrate that our pulse-driven micro sensor using nanostructured oxide materials holds promise as a battery-operable, portable gas sensing device.

Scaling behavior of the spin pumping effect in conductive ferromagnet/platinum bilayers

Energy Technology Data Exchange (ETDEWEB)

Czeschka, Franz D.; Althammer, Matthias; Huebl, Hans; Gross, Rudolf; Goennenwein, Sebastian T.B. [Walther-Meissner-Institut, Bayerische Akademie der Wissenschaften, Garching (Germany); Dreher, Lukas; Brandt, Martin S. [Walter Schottky Institut, Technische Universitaet Muenchen, Garching (Germany); Imort, Inga-Mareen; Reiss, Guenter; Thomas, Andy [Fakultaet fuer Physik, Universitaet Bielefeld (Germany); Schoch, Wladimir; Limmer, Wolfgang [Abteilung Halbleiterphysik, Universitaet Ulm (Germany)

2011-07-01

Spin pumping experiments allow to measure spin currents or the spin Hall angle. We have systematically studied the spin pumping DC voltage occurring in conjunction with ferromagnetic resonance in a series of conductive ferromagnet/platinum bilayers, made from elemental 3d transition metals, Heusler compounds, ferrite spinel oxides, and magnetic semiconductors. In all bilayers, we invariably observe the same DC voltage polarity. Moreover, we find that the voltage magnitude scales with the magnetization precession cone angle with a universal prefactor, irrespective of the magnetic properties, the charge carrier transport mechanism, and the charge carrier type in a given ferromagnet. These findings quantitatively corroborate the present theoretical understanding of spin pumping in combination with the inverse spin Hall effect, and establish spin pumping as a generic phenomenon.

Spin pumping damping and magnetic proximity effect in Pd and Pt spin-sink layers

Science.gov (United States)

Caminale, M.; Ghosh, A.; Auffret, S.; Ebels, U.; Ollefs, K.; Wilhelm, F.; Rogalev, A.; Bailey, W. E.

2016-07-01

We investigated the spin pumping damping contributed by paramagnetic layers (Pd, Pt) in both direct and indirect contact with ferromagnetic Ni81Fe19 films. We find a nearly linear dependence of the interface-related Gilbert damping enhancement Δ α on the heavy-metal spin-sink layer thicknesses tN in direct-contact Ni81Fe19 /(Pd, Pt) junctions, whereas an exponential dependence is observed when Ni81Fe19 and (Pd, Pt) are separated by 3 nm Cu. We attribute the quasilinear thickness dependence to the presence of induced moments in Pt, Pd near the interface with Ni81Fe19 , quantified using x-ray magnetic circular dichroism measurements. Our results show that the scattering of pure spin current is configuration-dependent in these systems and cannot be described by a single characteristic length.

Effect of hydrogenation on the crystal structure of La{sub 2}Pd{sub 2}In

Energy Technology Data Exchange (ETDEWEB)

Kolomiets, A.V., E-mail: kolomiet@mag.mff.cuni.cz [Department of Condensed Matter Physics, Faculty of Mathematics and Physics, Charles University, Ke Karlovu 5, 121 16 Prague 2 (Czech Republic); Department of Physics, Lviv Polytechnic National University, 12 Bandera Str., 79013 Lviv (Ukraine); Maskova, S.; Havela, L.; Matej, Z.; Kuzel, R. [Department of Condensed Matter Physics, Faculty of Mathematics and Physics, Charles University, Ke Karlovu 5, 121 16 Prague 2 (Czech Republic)

2011-03-10

Research highlights: > La{sub 2}Pd{sub 2}In hydride is crystalline with 1.5 H atoms per formula unit and amorphous at 4 H atoms/f.u. > Volume expansion of La{sub 2}Pd{sub 2}In due to hydrogenation reaches 6.0% (or +4.9 A{sup 3}/H atom) and is anisotropic. > Hydrogenation 'softens' the lattice of La{sub 2}Pd{sub 2}In. - Abstract: The paper is focusing on the modification of the crystal lattice upon the hydrogenation of La{sub 2}Pd{sub 2}In and hydrogen desorption from La{sub 2}Pd{sub 2}In hydrides. The synthesis at 1 bar of hydrogen produces a crystalline hydride with 1.5 H atoms per formula unit and the volume expansion of {Delta}V/V = 6.0%. The synthesis at 10 and 100 bar H{sub 2} pressures leads to an amorphous state and with 4 + {delta} H atoms/f.u. The uptake of hydrogen leads to the decrease of the Debye temperature of La{sub 2}Pd{sub 2}In and modification of the optical phonon spectrum.

Influence of keV-He ion bombardment on the magnetic properties of Co/Pd multilayers

Energy Technology Data Exchange (ETDEWEB)

Mueglich, Nicolas; Buhl, Oliver; Weis, Tanja; Engel, Dieter; Ehresmann, Arno [Institute of Physics and Center for Interdisciplinary Nanostructure Science and Technology (CINSaT), University of Kassel (Germany); Hellwig, Olav [San Jose Research Center, HGST, A Western Digital Company, CA (United States)

2013-07-01

Thin films of ferromagnetic Co separated by Pd films with thicknesses in the first ferromagnetic maximum of interlayer exchange coupling are magnetically dominated by perpendicular-to-plane anisotropy and labyrinth stripe domain patterns in remanence. During the magnetization reversal of such a multilayer system domain nucleation and domain wall movement can be observed for different external magnetic fields H. The influence of keV-He ion bombardment on the microstructure of the system and its resultant decrease of magnetic anisotropy has been investigated by vibrating sample magnetometry, polar magneto-optical Kerr effect and magnetic force microscopy. It is shown that areas of ferromagnetic in-plane anisotropy are created due to the ion bombardement and that the system shows an increasing quotient of superparamagnetism in the deeper layers of the multilayersystem.

Study of half-metallic ferromagnetism and elastic properties of Cd{sub 1-x}Cr{sub x}Z (Z=S, Se)

Energy Technology Data Exchange (ETDEWEB)

Rani, Anita [Guru Nanak College for Girls, Sri Muktsar Sahib, Punjab (India); Kumar, Ranjan [Panjab University Chandigarh, Department of Physics, Chandigarh (India)

2016-12-15

We have studied the structural, electronic and magnetic properties of Cd{sub 1-x}Cr{sub x}S and Cd{sub 1-x}Cr{sub x}Se diluted magnetic semiconductors in zinc blende (B3) phase at x = 0.25, 0.125 and 0.0625. The calculations have been performed using DFT (density functional theory) as implemented in SIESTA code using LDA (local density approximation) as exchange-correlation (XC) potential. Study of band structures and DOS (density of states) shows HMF (half-metallic ferromagnetic) nature of Cd{sub 1-x}Cr{sub x}S and Cd{sub 1-x}Cr{sub x}Se alloys. The calculated values of s-d exchange constant Nα and p-d exchange constant Nβ show the magnetic behavior of these compounds. Moreover, both DMSs retain their half-metallic nature at 0.25, 0.125 and 0.0625 concentrations with 100% spin polarization at Fermi level (E{sub F}). Total magnetic moment of these compounds is due to 3d states of Cr atom and also existence of small induced magnetic moment on other non-magnetic atoms as well. HM robustness is also calculated as a function of lattice constants. (orig.)

High-pressure phase transition of alkali metal-transition metal deuteride Li2PdD2

Science.gov (United States)

Yao, Yansun; Stavrou, Elissaios; Goncharov, Alexander F.; Majumdar, Arnab; Wang, Hui; Prakapenka, Vitali B.; Epshteyn, Albert; Purdy, Andrew P.

2017-06-01

A combined theoretical and experimental study of lithium palladium deuteride (Li2PdD2) subjected to pressures up to 50 GPa reveals one structural phase transition near 10 GPa, detected by synchrotron powder x-ray diffraction, and metadynamics simulations. The ambient-pressure tetragonal phase of Li2PdD2 transforms into a monoclinic C2/m phase that is distinct from all known structures of alkali metal-transition metal hydrides/deuterides. The structure of the high-pressure phase was characterized using ab initio computational techniques and from refinement of the powder x-ray diffraction data. In the high-pressure phase, the PdD2 complexes lose molecular integrity and are fused to extended [PdD2]∞ chains. The discovered phase transition and new structure are relevant to the possible hydrogen storage application of Li2PdD2 and alkali metal-transition metal hydrides in general.

First principle investigation of structural, electronic and magnetic properties of cubic Cd{sub 0.9375}TM{sub 0.0625}S (TM=Ni, Co and Fe)

Energy Technology Data Exchange (ETDEWEB)

Yahi, Hakima, E-mail: yahihaki@yahoo.fr; Meddour, Athmane, E-mail: a_meddour@yahoo.fr

2017-06-15

In this study, we investigated the structural, electronic and magnetic properties of Cd{sub 0.9375}TM{sub 0.0625}S (TM=Ni, Co and Fe) compounds in zinc blende (B3) ferromagnetic phase using all-electron full-potential linear muffin tin orbital (FP-LMTO) calculations within the frame work of the density functional theory and the generalized gradient approximation. The analysis of electronic structures shows that Cd{sub 0.9375}Ni{sub 0.0625}S, Cd{sub 0.9375}Co{sub 0.0625}S and Cd{sub 0.9375}Fe{sub 0.0625}S compounds are half-metallic ferromagnets with 100% spin polarization at the Fermi level. This half-metallic behavior is confirmed by the total calculated magnetic moment per Ni, Co and Fe substituted transition metal (TM) atom, which is found to be 2 µ{sub B}, 3 µ{sub B} and 4 µ{sub B} for Cd{sub 0.9375}TM{sub 0.0625}S (TM=Ni, Co and Fe) compounds, respectively. Furthermore, we found that the TM-3d states are responsible for generating spin-polarization and magnetic moment in these compounds and we establish that the p-d hybridization reduces the local magnetic moment of TM atoms from its free space charge value and produces small local magnetic moments on nonmagnetic Cd and S host sites. Also, we predicted exchange splitting energy Δ{sub x}(pd) and exchange constants N{sub 0}α and N{sub 0}β. The calculated values validate the ferromagnetic nature of these compounds.

GdCuMg with ZrNiAl-type structure. An 82.2 K ferromagnet

Energy Technology Data Exchange (ETDEWEB)

Stein, Sebastian; Heletta, Lukas; Poettgen, Rainer [Muenster Univ. (Germany). Inst. fuer Anorganische und Analytische Chemie

2017-08-01

GdCuMg has been synthesized by induction-melting of the elements in a sealed niobium ampoule followed by annealing in a muffle furnace. The sample was studied by powder and single crystal X-ray diffraction: ZrNiAl type, P anti 62m (a=749.2(4), c=403.3(1) pm), wR2=0.0242, 315 F{sup 2} values and 15 variables. Temperature dependent magnetic susceptibility measurements have revealed an experimental magnetic moment of 8.54(1) μ{sub B} per Gd atom. GdCuMg orders ferromagnetically below T{sub C}=82.2(5) K and based on the magnetization isotherms it can be classified as a soft ferromagnet.

Half-metallic ferromagnetism in nitrogen - doped ionic insulator (Li2O): a DFT study

International Nuclear Information System (INIS)

Eithiraj, R.D.; Kalpana, G.

2010-01-01

The tight binding linear muffin-tin orbital (TB-LMTO) method, is used to study the electronic structure and magnetism in nitrogen - doped Li 2 O (antifluorite - CaF 2 structure). Total energy calculations show that the antifluorite ferromagnetic state is more stable than the antifluorite non-magnetic state at equilibrium volume. Ground state properties such as equilibrium lattice constant and bulk modulus were calculated. The calculations reveal that non-magnetic impurities can induce stable half-metallic ferromagnetic ground state in Li 2 O. The magnetic moment of nitrogen doped Li 2 O can be tuned over a range between 1.00 μ B and 3.00 μ B by changing the concentration of nitrogen from 25% to 75%. (author)

High-temperature ferromagnetism in heavily Fe-doped ferromagnetic semiconductor (Ga,Fe)Sb

International Nuclear Information System (INIS)

Tu, Nguyen Thanh; Hai, Pham Nam; Anh, Le Duc; Tanaka, Masaaki

2016-01-01

We show high-temperature ferromagnetism in heavily Fe-doped ferromagnetic semiconductor (Ga_1_−_x,Fe_x)Sb (x = 23% and 25%) thin films grown by low-temperature molecular beam epitaxy. Magnetic circular dichroism spectroscopy and anomalous Hall effect measurements indicate intrinsic ferromagnetism of these samples. The Curie temperature reaches 300 K and 340 K for x = 23% and 25%, respectively, which are the highest values reported so far in intrinsic III-V ferromagnetic semiconductors.

Defect types and room-temperature ferromagnetism in undoped rutile TiO2 single crystals

Science.gov (United States)

Li, Dong-Xiang; Qin, Xiu-Bo; Zheng, Li-Rong; Li, Yu-Xiao; Cao, Xing-Zhong; Li, Zhuo-Xin; Yang, Jing; Wang, Bao-Yi

2013-03-01

Room-temperature ferromagnetism has been experimentally observed in annealed rutile TiO2 single crystals when a magnetic field is applied parallel to the sample plane. By combining X-ray absorption near the edge structure spectrum and positron annihilation lifetime spectroscopy, Ti3+—VO defect complexes (or clusters) have been identified in annealed crystals at a high vacuum. We elucidate that the unpaired 3d electrons in Ti3+ ions provide the observed room-temperature ferromagnetism. In addition, excess oxygen ions in the TiO2 lattice could induce a number of Ti vacancies which obviously increase magnetic moments.

Defect types and room-temperature ferromagnetism in undoped rutile TiO2 single crystals

International Nuclear Information System (INIS)

Li Dong-Xiang; Cao Xing-Zhong; Li Zhuo-Xin; Yang Jing; Wang Bao-Yi; Qin Xiu-Bo; Zheng Li-Rong; Li Yu-Xiao

2013-01-01

Room-temperature ferromagnetism has been experimentally observed in annealed rutile TiO 2 single crystals when a magnetic field is applied parallel to the sample plane. By combining X-ray absorption near the edge structure spectrum and positron annihilation lifetime spectroscopy, Ti 3+ —V O defect complexes (or clusters) have been identified in annealed crystals at a high vacuum. We elucidate that the unpaired 3d electrons in Ti 3+ ions provide the observed room-temperature ferromagnetism. In addition, excess oxygen ions in the TiO 2 lattice could induce a number of Ti vacancies which obviously increase magnetic moments

Defect types and room temperature ferromagnetism in N-doped rutile TiO2 single crystals

Science.gov (United States)

Qin, Xiu-Bo; Li, Dong-Xiang; Li, Rui-Qin; Zhang, Peng; Li, Yu-Xiao; Wang, Bao-Yi

2014-06-01

The magnetic properties and defect types of virgin and N-doped TiO2 single crystals are probed by superconducting quantum interference device (SQUID), X-ray photoelectron spectroscopy (XPS), and positron annihilation analysis (PAS). Upon N doping, a twofold enhancement of the saturation magnetization is observed. Apparently, this enhancement is not related to an increase in oxygen vacancy, rather to unpaired 3d electrons in Ti3+, arising from titanium vacancies and the replacement of O with N atoms in the rutile structure. The production of titanium vacancies can enhance the room temperature ferromagnetism (RTFM), and substitution of O with N is the onset of ferromagnetism by inducing relatively strong ferromagnetic ordering.

The effect of microemulsion composition on the morphology of Pd nanoparticles deposited at the surface of TiO2 and photoactivity of Pd-TiO2

Science.gov (United States)

Długokęcka, Marta; Łuczak, Justyna; Polkowska, Żaneta; Zaleska-Medynska, Adriana

2017-05-01

A series of microemulsion (ME) system, constituted by different water to surfactant molar ratios (Wo) and oil to surfactant mass ratios (S), have been applied for Pd-TiO2 preparation. The effect of ME properties on the morphology of Pd nanoparticles formed at TiO2 surface and an effect of Pd size and distribution on the surface and photocatalytic properties of Pd-TiO2 were investigated. Microemulsion systems were characterized by means of viscosity, density, dynamic light scattering as well as surface tension measurements to find a correlation between the conditions of Pd nanoparticles formation, their morphology and photocatalyst features. The photocatalysts were characterized by transmission electron microscopy (TEM), X-ray diffraction analysis (XRD), UV-vis diffuse-reflectance spectroscopy (DRS), BET surface area and elemental analysis. The photocatalytic properties of Pd-modified TiO2 particles were studied in a model reaction of phenol photodegradation under Vis irradiation, as well as active species involved in the photocatalytic reaction were determined. Microemulsion composition was found to be a crucial parameter in determining the features of the TiO2-based photocatalysts covered by metallic nanoparticles. The highest photocatalytic activity under Vis radiation was observed for the Pd-TiO2 sample (average diameter 2.4 nm) obtained using 0.1 mol% Pd in the ME system containing 1.5 wt% of water and 82.8 wt% of cyclohexane with average droplet size of 2.83 ± 0.18 nm. In this regard, synthesis of such metal-semiconductor composites through the microemulsion route should always be preceded by investigation of ME properties in order to the eliminate the inhibitory effect of ME internal structure.

Session 6: Catalytic hydro-dehalogenation of halon 1211 (CBrClF{sub 2}) over carbon supported Pd-Fe, Pd-Co and Pd-Ni bimetallic catalysts

Energy Technology Data Exchange (ETDEWEB)

Hai, Yu; Kennedy, E.M.; Md Azhar, Uddin; Dlugogorski, B.Z. [Newcastle Univ., Process Safety and Environment Protection Group, School of Engineering, Callaghan, NSW (Australia)

2004-07-01

In the current study, we present the result of our investigation on the hydro-dehalogenation of halon 1211 with hydrogen over carbon supported Pd-Fe, Pd-Co and Pd-Ni bimetallic catalysts. In addition to dissociatively adsorbing hydrogen, Fe, Co and Ni themselves can facilitate cleavage of C-halogen bonds. The effect of the interaction of a second metal (Fe, Co and Ni) with Pd on the conversion of halon 1211 and selectivity to CH{sub 2}F{sub 2} for the catalytic hydro-dehalogenation of halon 1211 is discussed. Activated carbon is chosen as support in order to minimize the interaction of support with the metals. The obtained experimental results show that the introduction of Fe, Co and Ni to Pd catalysts has a significant influence on the catalytic hydro-dehalogenation of halon 1211, especially with respect to the selectivity to CH{sub 2}F{sub 2}. The presence of Fe increases the amount of halon 1211 adsorbed on the surface of catalysts and enhances the cleavage of C-halogen bonds in halon 1211, resulting in a higher halon 1211 conversion level and selectivity to hydrocarbons. Higher selectivity to CHBrF{sub 2} is ascribed to the secondary reaction: CF{sub 2} + HBr {yields} CHBrF{sub 2}. (authors)

Femtosecond Single-Shot Imaging of Nanoscale Ferromagnetic Order in Co/Pd Multilayers using Resonant X-ray Holography

Energy Technology Data Exchange (ETDEWEB)

Wang, Tianhan; Zhu, Diling; Benny Wu,; Graves, Catherine; Schaffert, Stefan; Rander, Torbjorn; Muller, leonard; Vodungbo, Boris; Baumier, Cedric; Bernstein, David P.; Brauer, Bjorn; Cros, Vincent; Jong, Sanne de; Delaunay, Renaud; Fognini, Andreas; Kukreja, Roopali; Lee, Sooheyong; Lopez-Flores, Victor; Mohanty, Jyoti; Pfau, Bastian; Popescu, 5 Horia

2012-05-15

We present the first single-shot images of ferromagnetic, nanoscale spin order taken with femtosecond x-ray pulses. X-ray-induced electron and spin dynamics can be outrun with pulses shorter than 80 fs in the investigated fluence regime, and no permanent aftereffects in the samples are observed below a fluence of 25 mJ/cm{sup 2}. Employing resonant spatially-muliplexed x-ray holography results in a low imaging threshold of 5 mJ/cm{sup 2}. Our results open new ways to combine ultrafast laser spectroscopy with sequential snapshot imaging on a single sample, generating a movie of excited state dynamics.

Ni substitution effect on magnetic and transport properties in metallic ferromagnet Co3Sn2S2

Science.gov (United States)

Kubodera, Takashi; Okabe, Hirotaka; Kamihara, Yoichi; Matoba, Masanori

2006-05-01

We investigated the magnetic and transport properties of polycrystalline (Co1-xNix)3Sn2S2(0⩽x⩽1) to ascertain the magnetism of the new metallic ferromagnet Co3Sn2S2. In Co3Sn2S2 magnetization does not saturate up to 5.5 T at 10 K, and the estimated saturation moment ( ps) is small ( ≅0.2μB per Co atom). In ( Co1-xNix)3Sn2S2, the electrical resistivity shows metallic behavior without a hump but has a kink at TC. The TC and magnetic susceptibility gradually decrease with increasing x, and there is no antiferromagnetic phase throughout the full range of composition. These results indicate that Co3Sn2S2 is a weak itinerant ferromagnet; while, the same order of the Rhodes-Wohlfarth pc/ps value as CoS2 suggests the existence of a localized moment.

Preparation and Characterization of Pd Modified TiO2 Nanofiber Catalyst for Carbon–Carbon Coupling Heck Reaction

Directory of Open Access Journals (Sweden)

Leah O. Nyangasi

2017-01-01

Full Text Available TiO2 fibers were prepared through electrospinning of poly methyl methacrylate (PMMA and titanium isopropoxide (TIP solution followed by calcination of fibers in air at 500°C. Cetyltrimethylammonium bromide (CTAB protected palladium nanoparticles (Pd NPs prepared through reduction method were successfully adsorbed on the TiO2 nanofibers (NF. Combined studies of X-ray diffraction (XRD, scanning electron microscope (SEM, and transmission electron microscope (TEM indicated that the synthesized Pd/TiO2 had anatase. BET indicated that the synthesized TiO2 and Pd/TiO2 had a surface area of 53.4 and 43.4 m2/g, respectively. The activity and selectivity of 1 mol% Pd/TiO2 in the Heck reaction have been investigated towards the Mizoroki-Heck carbon–carbon cross-coupling of bromobenzene (ArBr and styrene. Temperature, time, solvent, and base were optimized and catalyst was recycled thrice. 1H NMR and 13C NMR indicated that stilbene, a known compound from literature, was obtained in various Heck reactions at temperatures between 100°C and 140°C but the recyclability was limited due to some palladium leaching and catalyst poisoning which probably arose from some residual carbon from the polymer. The catalyst was found to be highly active under air atmosphere with reaction temperatures up to 140°C. Optimized reaction condition resulted in 89.7% conversions with a TON of 1993.4 and TOF value of 332.2 hr−1.

TPO characterization of ethanol reduced Pd nanoparticles supported on SiO$_{2}$

CERN Document Server

Horváth, A; Sarkany, A; Guczi, L

2002-01-01

Silica-supported Pd catalysts were prepared at 298-353 K from Pd(II) chloride or Pd(II) acetate in suspension of SiO/sub 2/ and ethanol- water or ethanol-toluene mixtures, respectively. Reduction of Pd ions diffusing from liquid phase was ensured in an ethanol-rich adsorption layer covering the SiO/sub 2/ particles. Temperature-programmed oxidation (TPO) measurements were performed to characterize the organic impurities retained by solid phase. Vapour phase reduction /adsorption experiments with ethanol confirmed that under the reported reduction conditions, the Pd nanoparticles decompose ethanol and the CO formed remains chemisorbed on the Pd sites. Upon contacting the samples with air during the drying process to eliminate the solvent, the CO molecules are immediately removed from Pd sites by O/sub 2/, and thereby, a significant fraction (22-34%) of Pd sites becomes accessible for catalytic reactions. (33 refs).

Switchable CO2 electroreduction via engineering active phases of Pd nanoparticles

Institute of Scientific and Technical Information of China (English)

Dunfeng Gao; Fan Yang; Shu Miao; Jianguo Wang; Guoxiong Wang; Xinhe Bao; Hu Zhou; Fan Cai; Dongniu Wang; Yongfeng Hu; Bei Jiang; Wen-Bin Cai; Xiaoqi Chen; Rui Si

2017-01-01

Active-phase engineering is regularly utilized to tune the selectivity of metal nanoparticles (NPs) in heterogeneous catalysis.However,the lack of understanding of the active phase in electrocatalysis has hampered the development of efficient catalysts for CO2 electroreduction.Herein,we report the systematic engineering of active phases of Pd NPs,which are exploited to select reaction pathways for CO2 electroreduction.In situ X-ray absorption spectroscopy,in situ attenuated total reflection-infrared spectroscopy,and density functional theory calculations suggest that the formation of a hydrogen-adsorbed Pd surface on a mixture of the α-and β-phases of a palladium-hydride core (α+β PdHx@PdHx) above-0.2 V (vs.a reversible hydrogen electrode) facilitates formate production via the HCOO* intermediate,whereas the formation of a metallic Pd surface on the β-phase Pd hydride core (β PdHx@Pd) below-0.5 V promotes CO production via the COOH* intermediate.The main product,which is either formate or CO,can be selectively produced with high Faradaic efficiencies (＞90％) and mass activities in the potential window of 0.05 to-0.9 V with scalable application demonstration.

High-temperature ferromagnetism in heavily Fe-doped ferromagnetic semiconductor (Ga,Fe)Sb

Energy Technology Data Exchange (ETDEWEB)

Tu, Nguyen Thanh [Department of Electrical Engineering and Information Systems, The University of Tokyo, 7-3-1 Hongo, Bunkyo, Tokyo 113-8656 (Japan); Department of Physics, Ho Chi Minh City University of Pedagogy, 280, An Duong Vuong Street, District 5, Ho Chi Minh City 748242 (Viet Nam); Hai, Pham Nam [Department of Electrical Engineering and Information Systems, The University of Tokyo, 7-3-1 Hongo, Bunkyo, Tokyo 113-8656 (Japan); Department of Physical Electronics, Tokyo Institute of Technology, 2-12-1 Ookayama, Meguro, Tokyo 152-0033 (Japan); Center for Spintronics Research Network (CSRN), The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656 (Japan); Anh, Le Duc [Department of Electrical Engineering and Information Systems, The University of Tokyo, 7-3-1 Hongo, Bunkyo, Tokyo 113-8656 (Japan); Tanaka, Masaaki [Department of Electrical Engineering and Information Systems, The University of Tokyo, 7-3-1 Hongo, Bunkyo, Tokyo 113-8656 (Japan); Center for Spintronics Research Network (CSRN), The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656 (Japan)

2016-05-09

We show high-temperature ferromagnetism in heavily Fe-doped ferromagnetic semiconductor (Ga{sub 1−x},Fe{sub x})Sb (x = 23% and 25%) thin films grown by low-temperature molecular beam epitaxy. Magnetic circular dichroism spectroscopy and anomalous Hall effect measurements indicate intrinsic ferromagnetism of these samples. The Curie temperature reaches 300 K and 340 K for x = 23% and 25%, respectively, which are the highest values reported so far in intrinsic III-V ferromagnetic semiconductors.

PdMn and PdFe: New Materials for Temperature Measurement Near 2K

International Nuclear Information System (INIS)

Adriaans, M.J.; Aselage, T.L.; Day, P.K.; Duncan, R.V.; Klemme, B.J.; Sergatskov, D.A.

1999-01-01

Interest in the critical dynamics of superfluid 4 He in microgravity conditions has motivated the development of new high resolution thermometry technol- ogy for use in space experiments near 2K. The current material commonly used as the temperature sensing element for high resolution thermometers (HRTs) is copper ammonium bromide [Cu(NH 4 ) 2 Br 4 2H 2 0) or ''CAB'', which undergoes a ferromagnetic phase transition at 1.8K1. HRTs made from CAB have demonstrated low drift ( -13 K/s

Ferromagnetic-phase transition in the spinel-type CuCr2Te4

International Nuclear Information System (INIS)

Suzuyama, Takeshi; Awaka, Junji; Yamamoto, Hiroki; Ebisu, Shuji; Ito, Masakazu; Suzuki, Takashi; Nakama, Takao; Yagasaki, Katsuma; Nagata, Shoichi

2006-01-01

Ferromagnetic-phase transition in spinel-type CuCr 2 Te 4 has been clearly observed. CuCr 2 Te 4 is a telluride-spinel with the lattice constant a=11.134A, which has been synthesized successfully. The heat capacity exhibits a sharp peak due to the ferromagnetic-phase transition with the Curie temperature T C =326K. This value of T C corresponds exactly to that of the negative peak of dM/dT in low field of 1.0Oe. The magnetic susceptibility shows the Curie-Weiss behavior between 380 and 650K with the effective magnetic moment μ eff =4.14μ B /Cr-ion and the Weiss constant θ=+357K. The low temperature magnetization indicates the spin-wave excitations, where the existence of first term of Bloch T 3/2 law and the next T 5/2 term are verified experimentally. This spin-wave excitation is detected up to approximately 250K which is a fairly high temperature

New magnetic refrigeration materials for the liquefaction of hydrogen

International Nuclear Information System (INIS)

Gschneidner, K.A.; Takeya, H.; Moorman, J.O.; Pecharsky, V.K.; Malik, S.K.; Zimm, C.B.

1994-01-01

Five heavy lanthanide ferromagnetic intermetallic compounds were studied as potential magnetic refrigerants for the liquefaction of hydrogen gas. (Dy 0.5 Er 0.5 )Al 2 and TbNi 2 appear to be better refrigerants than GdPd for a Joule-Brayton cycle refrigerator, while (Gd 0.54 Er 0.46 )AlNi seems to be a suitable refrigerant for an Ericsson cycle refrigerator

Room-temperature ferromagnetism in Co and Nb co-doped TiO2 nanoparticles

International Nuclear Information System (INIS)

Hachisu, M.; Mori, K.; Hyodo, K.; Morimoto, S.; Yamazaki, T.; Ichiyanagi, Y.

2015-01-01

Co- and Nb-doped TiO 2 nanoparticles encapsulated with amorphous SiO 2 were synthesized by our novel preparation method. An anatase TiO 2 single-phase structure was confirmed using X-ray diffraction. The particle size could be controlled to be about 5 nm. The composition of these nanoparticles was investigated by X-ray fluorescence analysis. X-ray absorption near-edge structure spectra showed that the Ti 4+ and Co 2+ states were dominant in our prepared samples. A reduction in the coordination number was also confirmed. The dependence of the electrical conductivity on the frequency was measured by an LCR meter, and the carrier concentration was determined. The magnetization curves for the nanoparticles indicated ferromagnetic behavior at room temperature. We concluded that the ferromagnetism originated in oxygen vacancies around the transition metal ions

Selective hydrodechlorination of 1,2-dichloroethane to ethylene over Pd-Ag/Al_2O_3 catalysts prepared by surface reduction

International Nuclear Information System (INIS)

Han, Yuxiang; Gu, Guangfeng; Sun, Jingya; Wang, Wenjuan; Wan, Haiqin; Xu, Zhaoyi; Zheng, Shourong

2015-01-01

Graphical abstract: - Highlights: • Surface reduction method was used for preparation of Pd-Ag(Cu) bimetallic catalysts. • Hydrodechlorination of 1,2-dichloroethane was investigated for production of ethylene. • Ag(Cu) selectively deposited on Pd surface during surface reduction process. • Ethylene selectivity was enhanced over Pd-Ag(Cu)/Al_2O_3 catalyst prepared by surface reduction. • Isolated Pd site is the key species for ethylene selectivity. - Abstract: Alumina supported Pd-Ag and (Cu) bimetallic catalysts (denoted as sr-Pd-Ag/Al_2O_3 or sr-Pd-Cu/Al_2O_3) with varied Pd/Ag (or Cu) ratios were prepared using the surface reduction method, and the gas-phase catalytic hydrodechlorination of 1,2-dichloroethane over the catalysts were investigated. For comparison, Pd-Ag bimetallic catalysts were prepared by the conventional co-impregnation method (denoted as im-Pd-Ag/Al_2O_3). The catalysts were characterized by N_2 adsorption, X-ray diffraction, transmission electron microscopy, X-ray photoelectron spectroscopy, and CO chemisorption. Characterization results indicated that surface reduction led to selective deposition of metallic Ag on the surface of Pd particles, while Pd and Ag just disorderly mixed in the catalyst prepared by impregnation method. Therefore, sr-Pd-Ag/Al_2O_3 exhibited a higher ethylene selectivity than im-Pd-Ag/Al_2O_3 for hydrodechlorination of 1,2-dichloroethane at a similar Ag loading amount. Moreover, among sr-Pd-Ag/Al_2O_3, sr-Pd-Cu/Al_2O_3 and im-Pd-Ag/Al_2O_3 catalysts, the ethylene selectivity decreased over these catalysts following the order: sr-Pd-Ag/Al_2O_3 > sr-Pd-Cu/Al_2O_3 > im-Pd-Ag/Al_2O_3. The present results indicate that surface reduction can be used as a potential method to synthesize catalyst with enhanced ethylene selectivity in hydrodechlorination of 1,2-dichloroethane.

Ferromagnetism regulated by edged cutting and optical identification in monolayer PtSe2 nanoribbons

Science.gov (United States)

Meng, Ming; Zhang, QiZhen; Wang, Lifen; Shan, Yun; Du, Yuandong; Qin, Nan; Liu, Lizhe

2018-06-01

Regulation of ferromagnetism and electronic structure in PtSe2 nanostructures has attracted much attention because of its potential in spintronics. The magnetic and optical properties of PtSe2 nanoribbons with different edge reconstruction and external deformations are calculated by density function theory. In 1 T phase PtSe2 nanoribbons, the ferromagnetism induced by spin polarization of exposed Pt or Se atoms is decreased with the reducing nanoribbon width. For smaller nanoribbon, the magnetism can be regulated by external strain more easily. However, the magnetism cannot occur in 1 H phase PtSe2 nanoribbon. The absorption spectra are suggested to identify the nanoribbon structural changes in detail. Our results suggest the use of edge reconstruction and strain engineering in spintronics applications.

Interplay between crystal and magnetic structures in YFe{sub 2}(H{sub α}D{sub 1−α}){sub 4.2} compounds studied by neutron diffraction

Energy Technology Data Exchange (ETDEWEB)

Paul-Boncour, V., E-mail: paulbon@icmpe.cnrs.fr [Université de Paris Est, ICMPE, CNRS-UPEC, UMR7182, 2-8 rue Henri Dunant, 94320 Thiais (France); Guillot, M. [LNCMI, CNRS, BP166, 38042 Grenoble Cedex 9 (France); Isnard, O. [CNRS, Institut Néel, 38042 Grenoble (France); Univ. Grenoble Alpes, Inst. Néel, 38042 Grenoble (France); Ouladdiaf, B. [Institut Laue Langevin, 71 avenue des Martyrs, 38042 Grenoble Cedex 9 (France); Hoser, A. [Helmholtz-Zentrum Berlin für Materialien und Energie, Glienicker Str. 100, D-141 09 Berlin (Germany); Hansen, T. [Institut Laue Langevin, 71 avenue des Martyrs, 38042 Grenoble Cedex 9 (France); Stuesser, N. [Helmholtz-Zentrum Berlin für Materialien und Energie, Glienicker Str. 100, D-141 09 Berlin (Germany)

2017-01-15

We report a detailed magnetic structure investigation of YFe{sub 2}(H{sub α}D{sub 1−α}){sub 4.2} (α=0, 0.64, 1) compounds presenting a strong (H,D) isotope effect by neutron diffraction and Mössbauer spectroscopy analysis. They crystallize in the same monoclinic structure (Pc space group) with 8 inequivalent Fe sites having different H(D) environment. At low temperature, the compounds are ferromagnetic (FM) and show an easy magnetization axis perpendicular to the b axis and only slightly tilted away from the c axis. Upon heating, they display a first order transition from a ferromagnetic towards an antiferromagnetic (AFM) structure at T{sub M0} which is sensitive to the H/D isotope nature. The AFM cell is described by doubling the crystal cell along the monoclinic b axis. It presents an unusual coexistence of non magnetic Fe layer sandwiched by two thicker ferromagnetic Fe layers which are antiparallel to each other. This FM-AFM transition is driven by the loss of ordered moment on one Fe site (Fe7) through an itinerant electron metamagnetic (IEM) behaviour. The key role of the Fe7 position is assigned to both its hydrogen rich atomic environment and its geometric position. Above T{sub M0} a field induced metamagnetic transition is observed from the AFM towards the FM structure accompanied by a cell volume increase. Both thermal and magnetic field dependence of the magnetic structure are found strongly related to the anisotropic cell distortion induced by (H,D) order in interstitial sites. - Graphical abstract: Representation of the FM-AFM magnetic structures of YFe{sub 2}D{sub 4.2} deuteride. - Highlights: • YFe{sub 2}(H,D){sub 4.2} compounds undergoes a isotope sensitive FM-AFM transition at T{sub M0}. • The FM structure is formed of Fe moments perpendicular to the monoclinic b axis. • AFM structure is formed by antiparallel Fe layers separated by non-magnetic Fe layer. • One Fe site among eight loses its moment at T{sub M0} due to larger Fe�

Influence of hydrogen absorption on magnetic ordering in some zirconium-based Laves phase compounds

International Nuclear Information System (INIS)

Fujii, H.; Pourarian, F.; Wallace, W.E.

1982-01-01

Magnetization measurements were carried out on several zirconium-based hexagonal Laves phase compounds, i.e. the ZrMnsub(2+delta), (Zr,Ti)Mn 2 , Zr(Mn,Fe) 2 and Zr(Fe,Al) 2 systems and their hydrides. The absorbed hydrogen leads to a large increase (20%-30%) in volume without a change in the crystal structure. ZrMnsub(2+delta) is a weak Pauli paramagnet but becomes a spin glass near-ferromagnet by hydriding, indicating that the manganese moments are subjected to competing ferromagnetic and antiferromagnetic coupling tendencies. In the (Zrsub(1-x)Tisub(x))Mn 2 hydrides, ferromagnetic, spin-glass-like, ferromagnetic and antiferromagnetic behaviors appear at 4.2 K in the sequence of increasing x and/or decrease in hydrogen concentration. In the Zr(Mn,Fe) 2 system, the hydrogen absorption increases both the magnetic moments and the magnetic transition temperatures, while absorbed hydrogen leads to suppression of ferromagnetism in the Zr(Fe,Al) 2 system. These varied and complex magnetic behaviors are attributed to the effects of (1) variations in the interatomic distances, (2) changes in the 3d electron concentration and (3) varying local hydrogen concentrations occurring as a result of statistical fluctuations. (Auth.)

Kinetics of 2-chlorobiphenyl Reductive Dechlorination by Pd-fe0 Nanoparticles

Directory of Open Access Journals (Sweden)

Jiang Junrong

2016-01-01

Full Text Available Kinetics of 2-chlorobiphenyl (2-Cl BP catalytic reductive dechlorination by Pd-Fe0 nanoparticles were investigated. Experimental results showed that ultrafine bimetallic Pd-Fe0e nanoparticles were synthesized in the presence of 40 kHz ultrasound in order to enhance disparity and avoid agglomeration. The application of ultrasonic irradiation during the synthesis of Pd-Fe0 nanoparticles further accelerated the dechlorinated removal ratio of 2-Cl BP. Up to 95.0% of 2-Cl BP was removed after 300 min reaction with the following experimental conditions: initial 2-Cl BP concentration 10 mg L-1, Pd content 0.8 wt. %, bimetallic Pd-Fe0 nanoparticles prepared in the presence of ultrasound available dosage 7g L-1, initial pH value in aqueous solution 3.0, and reaction temperature 25°C. The catalytic reductive dechlorination of 2-Cl BP followed pseudo-first-order kinetics and the apparent pseudo-first-order kinetics constant was 0.0143 min-1.

Temperature dependence of the spontaneous magnetisation of ferromagnetic insulators: Does it obey the 3/2-5/2-β law?

International Nuclear Information System (INIS)

Kuz'min, M.D.; Tishin, A.M.

2005-01-01

Temperature dependence of the spontaneous magnetisation is analysed for three archetypal ferromagnetic insulators, EuS, EuO and CrBr 3 . The main point is the shape, rather than scale, of the curve M s (T). As far as the available data enable us to judge, this shape is adequately described by the simple ''3/2-5/2-β'' expression (m=[1-sτ 3/2 -(1-s)τ 5/2 ] β ), proposed previously for metallic ferromagnets, and depends on a single dimensionless parameter s. The lack of direct experimental data makes this conclusion a preliminary one. In order to resolve the question definitively, accurate magnetic measurements on single crystals are required as a matter of priority

Half-metallic ferromagnetism in Fe-doped Zn3P2 from first-principles calculations

International Nuclear Information System (INIS)

Jaiganesh, G.; Jaya, S. Mathi

2014-01-01

Using the first-principles calculations based on the density functional theory, we have studied the magnetism and electronic structure of Fe-doped Zinc Phosphide (Zn 3 P 2 ). Our results show that the half-metallic ground state and ferromagnetic stability for the small Fe concentrations considered in our study. The stability of the doped material has been studied by calculating the heat of formation and analyzing the minimum total energies in nonmagnetic and ferromagnetic phases. A large value of the magnetic moment is obtained from our calculations and our calculation suggests that the Fe-doped Zn 3 P 2 may be a useful material in semiconductor spintronics

Proximity effects and Josephson currents in ferromagnet. Spin-triplet superconductors junctions

International Nuclear Information System (INIS)

Terrade, Damien

2015-01-01

Spin-triplet superconductivity, first attached to the description of 3 He, is now generally considered to also occur in heavy-fermions compounds and in perovskite ruthenium oxide Sr 2 RuO 4 . The latter material is especially interesting since many experiments show strong evidences for a unitary chiral spin-triplet state. Moreover, the recent fabrication of thin heterostructures made of ferromagnetic SrRuO 3 on the top of Sr 2 RuO 4 strongly encourages new theoretical studies on the interplay between spin-triplet superconductor and ferromagnet in similar fashion to spin-singlet superconductors. Using an extended tight-binding Hamiltonian to model the superconductor, we discuss in this thesis the specific proximity effects of such interface by solving self-consistently the Bogoliubov-De Gennes equations on two- and three-dimensional lattices in the ballistic limit. We obtain the spatial profile of the superconducting order parameters at the interface as well as the spin-polarisation and the current across the Josephson junctions. In contrast to heterostructures made of spin-singlet superconductor, we show that the physical properties at the interface are not only controlled by the strength of the magnetization inside the ferromagnet but also by its orientation due to the existence of a finite pair spin projection of the spin-triplet Cooper pairs. We analyse in the first part the spin-polarisation and the Gibbs free energy at the three-dimensional ferromagnet-chiral spin-triplet superconductor interface. Then, the second part of the thesis is dedicated to the study of the Josephson junctions made of a chiral spin-triplet superconductor and a ferromagnetic barrier. More precisely, we analyse the existence of 0-π state transitions in two- and three-dimensional junctions with respect to the strength and the orientation of the magnetization. Finally, we study the proximity effects at the interface of helical spin-triplet superconductors. They differ from the chiral

The effect of microemulsion composition on the morphology of Pd nanoparticles deposited at the surface of TiO{sub 2} and photoactivity of Pd-TiO{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Długokęcka, Marta [Faculty of Chemistry, Gdańsk University of Technology, ul. G. Narutowicza 11/12, 80-233 Gdansk (Poland); Łuczak, Justyna, E-mail: justyna.luczak@pg.gda.pl [Faculty of Chemistry, Gdańsk University of Technology, ul. G. Narutowicza 11/12, 80-233 Gdansk (Poland); Polkowska, Żaneta [Faculty of Chemistry, Gdańsk University of Technology, ul. G. Narutowicza 11/12, 80-233 Gdansk (Poland); Zaleska-Medynska, Adriana, E-mail: adriana.zaleska@ug.edu.pl [Faculty of Chemistry, Gdańsk University of Technology, ul. G. Narutowicza 11/12, 80-233 Gdansk (Poland); Faculty of Chemistry, University of Gdansk, ul. Wita Stwosza 63, 80-308 Gdansk (Poland)

2017-05-31

Highlights: • Pd was deposited on TiO{sub 2} surface via microemulsion route (water-to-cyclohexane system). • Reaction parameters influencing the size distribution of Pd nanoparticles was investigated. • Photocatalytic activity was maximized at average droplet size of 2.83 ± 0.18 nm. • Superoxide radical was the dominant oxidizing species in the phenol degradation. - Abstract: A series of microemulsion (ME) system, constituted by different water to surfactant molar ratios (W{sub o}) and oil to surfactant mass ratios (S), have been applied for Pd-TiO{sub 2} preparation. The effect of ME properties on the morphology of Pd nanoparticles formed at TiO{sub 2} surface and an effect of Pd size and distribution on the surface and photocatalytic properties of Pd-TiO{sub 2} were investigated. Microemulsion systems were characterized by means of viscosity, density, dynamic light scattering as well as surface tension measurements to find a correlation between the conditions of Pd nanoparticles formation, their morphology and photocatalyst features. The photocatalysts were characterized by transmission electron microscopy (TEM), X-ray diffraction analysis (XRD), UV–vis diffuse-reflectance spectroscopy (DRS), BET surface area and elemental analysis. The photocatalytic properties of Pd-modified TiO{sub 2} particles were studied in a model reaction of phenol photodegradation under Vis irradiation, as well as active species involved in the photocatalytic reaction were determined. Microemulsion composition was found to be a crucial parameter in determining the features of the TiO{sub 2}-based photocatalysts covered by metallic nanoparticles. The highest photocatalytic activity under Vis radiation was observed for the Pd-TiO{sub 2} sample (average diameter 2.4 nm) obtained using 0.1 mol% Pd in the ME system containing 1.5 wt% of water and 82.8 wt% of cyclohexane with average droplet size of 2.83 ± 0.18 nm. In this regard, synthesis of such metal-semiconductor composites

Magnetic properties for the Mn{sub 2}GeTe{sub 4} compound

Energy Technology Data Exchange (ETDEWEB)

Quintero, M. [Departamento de Fisica, Facultad de Ciencias, Centro de Estudios de Semiconductores, Universidad de los Andes, Merida 5101 (Venezuela, Bolivarian Republic of)], E-mail: mquinter@ula.ve; Quintero, E.; Caldera, D.; Moreno, E.; Morocoima, M.; Grima, P.; Ferrer, D.; Marchan, N.; Bocaranda, P. [Departamento de Fisica, Facultad de Ciencias, Centro de Estudios de Semiconductores, Universidad de los Andes, Merida 5101 (Venezuela, Bolivarian Republic of); Delgado, G.E. [Laboratorio de Cristalografia, Departamento de Quimica, Facultad de Ciencias, Universidad de Los Andes, Merida 5101 (Venezuela, Bolivarian Republic of); Henao, J.A.; Macias, M.A.; Pinto, J.L. [Grupo de Investigacion en Quimica Estructural (GIQUE), Centro de Investigacion en Biomoleculas (CIBIMOL), Facultad de Ciencias, Escuela de Quimica, Universidad Industrial de Santander, Apartado aereo 678, Bucaramanga (Colombia); Ponce, C.A. [Facultad de Ciencias Exactas y Naturales y Agrimensura, Universidad Nacional del Nordeste, Corrientes 3400 (Argentina)

2009-02-15

Measurements of magnetic susceptibility {chi}, in the temperature range from 2 to 300 K, and of magnetization M vs. applied magnetic field B, up to 5 T, at various temperatures were made on polycrystalline samples of the Mn{sub 2}GeTe{sub 4} compound. It was found that Mn{sub 2}GeTe{sub 4} has a Neel temperature T{sub N} of about 135 K, shows mainly antiferromagnetic behavior with a very weak superimposed ferromagnetic component that is attributed to spin canting. Also, the magnetic results suggest that a possible spin-glass transition takes place at T{sub f}{approx}45 K. The spin-glass order parameter q(T), determined from the susceptibility data, was found to be in agreement with the prediction of conventional spin-glass theory. The M vs. B results indicated that bound magnetic polarons (BMPs) occur in the compound, and that the effects from BMPs disappear at approximately 80 K. The M vs. B curves were well fitted by a Langevin type of equation, and the variation of the fitting parameters determined as a function of temperature. Using a simple spherical model, the radius of the BMP in the material was found to be about 27 A; this value is similar to the effective Bohr radius for an acceptor in the II-IV-V{sub 2} and I-III-VI{sub 2} ternary semiconductor compounds.

Experimental determination of the hydrolysis constants of Pt sup 2+ and Pd sup 2+ at 25C from the solubility of Pt and PD in aqueous hydroxide solutions

Energy Technology Data Exchange (ETDEWEB)

Wood, S.A. (McGill Univ., Montreal, Quebec (Canada))

1991-07-01

The solubilities of Pt and Pd metal were measured at 25C in 10{sup {minus}4} to 10.0 molal NaOH solutions under a reduced oxygen atmosphere in order to determine the stoichiometry and stability constants for Pt and Pd hydroxide complexes. Equilibration times of over one year were employed. The Pd data are consistent with the existence of Pd(OH){sub 2}{sup 0}(aq) from pH 9 to 12 and Pd(OH){sub 3}{sup {minus}} from pH 12 to 15.5. No conclusive evidence for a Pd(OH){sub 4}{sup 2{minus}} complex was obtained, but the data do not preclude its existence at high pH. For Pt, the data are consistent with a single complex for pH = 9 to 15.5, i.e., Pt(OH){sub 2}{sup 0}(aq). A graphical treatment of the data yields the following cumulative stability constants: log {beta}{sub 2} = 18.9 {plus minus} 1.0 and log {beta}{sub 3} = 20.9 {plus minus} 1.0 for Pd and log {beta}{sub 2} = 29.9 {plus minus} 1.0 for Pt. The stepwise stability constant for Pd(OH){sub 3}{sup {minus}} log K{sub 3} = 2.0 is in relatively good agreement with that derived from data in the literature (log K{sub 3} = 1.8). However, the cumulative stability constants for Pd measured in this work are considerably smaller than those reported in the literature. The log{beta}{sub 2} = 29.9 {plus minus} 1.0 value measured for Pt compares relatively well with a theoretically estimated value of 28.3. The data suggest that the predominant inorganic form of Pt and Pd in freshwaters may be the neutral hydroxide species. In seawater, the hydroxide complex of Pt is also predicted to predominate over the chloride complex, but, in the case of Pd, the hydroxide complex appears to be less stable and it is presently not clear whether the chloride or the hydroxide complex will predominate. In fluids responsible for serpentinization, Pt and Pd may also be mobilized as hydroxide complexes.

The effect of CNTs on structures and catalytic properties of AuPd clusters for H2O2 synthesis.

Science.gov (United States)

Yang, Hua-feng; Xie, Peng-yang; Yu, Hui-you; Li, Xiao-nian; Wang, Jian-guo

2012-12-28

The structures and catalytic properties of AuPd clusters supported on carbon nanotubes (CNTs) for H(2)O(2) synthesis have been investigated by means of density functional theory calculations. Firstly, the structures of AuPd clusters are strongly influenced by CNTs, in which the bottom layers are mainly composed of Pd and the top layers are a mix of Au and Pd due to the stronger binding of Pd than Au on CNTs. Especially, it is found that O(2) adsorption on the Pd/CNTs interfacial sites is much weaker than that on the only Pd sites, which is in contrast to transition metal oxide (for example TiO(2), Al(2)O(3), CeO(2)) supported metal clusters. Furthermore, Pd ensembles on the interfacial sites have far superior catalytic properties for H(2)O(2) formation than those away from CNT supports due to the changes in electronic structures caused by the CNTs. Therefore, our study provides a physical insight into the enhanced role of carbon supports in H(2)O(2) synthesis over supported AuPd catalysts.

Modeling and calculation of RKKY exchange coupling to explain Ti-vacancy-induced ferromagnetism in Ta-doped TiO2

Science.gov (United States)

Majidi, Muhammad Aziz; Bupu, Annamaria; Fauzi, Angga Dito

2017-12-01

We present a theoretical study on Ti-vacancy-induced ferromagnetism in anatase TiO2. A recent experimental study has revealed room temperature ferromagnetism in Ta-doped anatase TiO2thin films (Rusydi et al., 2012) [7]. Ta doping assists the formation of Ti vacancies which then induce the formation of localized magnetic moments around the Ti vacancies. As neighboring Ti vacancies are a few unit cells apart, the ferromagnetic order is suspected to be mediated by itinerant electrons. We propose that such an electron-mediated ferromagnetism is driven by Ruderman-Kittel-Kasuya-Yosida (RKKY) exchange interaction. To examine our hypothesis, we construct a tight-binding based model Hamiltonian for the anatase TiO2 system. We calculate the RKKY exchange coupling constant of TiO2 as a function of distance between local magnetic moments at various temperatures. We model the system by taking only the layer containing a unit of TiO2, at which the Ti vacancy is believed to form, as our effective two-dimensional unit cell. Our model incorporates the Hubbard repulsive interactions between electrons occupying Ti d orbitals treated within mean-field approximation. The density of states profile resulting from the model captures the relevant electronic properties of TiO2, such as the energy gap of 3.4 eV and the n-type character, which may be a measure of the adequacy of the model. The calculated RKKY coupling constant shows that the ferromagnetic coupling extends up to 3-4 unit cells and enhances slightly as temperature is increased from 0 to 400 K. These results support our hypothesis that the ferromagnetism of this system is driven by RKKY mechanism.

Coexistence of ferromagnetism and spin glass behavior in antiferromagnetic Y2BaCuO5

International Nuclear Information System (INIS)

Zhu, Zhonghua; Gao, Daqiang; Zhang, Jing; Shi, Zhenhua; Gao, Hua; Yang, Zhaolong; Zhang, Zhipeng; Xue, Desheng

2013-01-01

Highlights: • Room temperature ferromagnetism is observed in ultrafine Y 2 BaCuO 5 particles. • The observed ferromagnetism originates from the oxygen defects. • A very interesting spin glass transition located at about 110 K is found. -- Abstract: We report the synthesis of a series of Y 2 BaCuO 5 samples by varying the annealing temperature with a citrate pyrolysis technique. X-ray diffraction patterns, scanning electron microscopy and transmission electron microscopy observation show the formation of a columnar Y 2 BaCuO 5 phase and these samples are composed of many irregular particles with different particle size. Magnetic measurements show that these samples exhibit room temperature ferromagnetism and the saturation magnetization decreases with increasing sintering temperature. Post-heating treatment under argon atmosphere can enhance the ferromagnetism greatly, suggesting that the magnetism is attributed to the surface oxygen defects. By measuring magnetization versus temperature curves after zero field cooling with various applied magnetic fields, two magnetic phase transitions located at about 11 and 110 K are revealed. The position of the peak at about 11 K is independent of the magnetic field; the other peak, however, becomes rounder and shifts to lower temperatures with increasing the magnetic field, showing a strong field dependence. In addition, the virgin magnetization curves with the measured temperature below 110 K display an S-type. These features are suggestive of an antiferromagnetic phase transition at about 11 K and a spin glass transition at about 110 K

Molecular ferromagnetism

International Nuclear Information System (INIS)

Epstein, A.J.

1990-01-01

This past year has been one of substantial advancement in both the physics and chemistry of molecular and polymeric ferromagnets. The specific heat studies of (DMeFc)(TCNE) have revealed a cusp at the three-dimensional ferromagnetic transition temperature with a crossover to primarily 1-D behavior at higher temperatures. This paper discusses these studies

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

Energy Technology Data Exchange (ETDEWEB)

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

2017-10-01

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

Magnetic behavior of PdFeMn on mesoscopic and macroscopic length scales

Energy Technology Data Exchange (ETDEWEB)

Wagner, V. E-mail: volker.wagner@ptb.de; Ahlers, H.; Axelrod, L.; Gordeev, G.; Zabenkin, V

2001-05-01

By 3D neutron depolarization (ND) the magnetization and the domain structure were observed for FC and ZFC samples of (Pd{sub 0.9965}Fe{sub 0.0035}){sub 1-x} Mn{sub x} with x=0.05, showing both an FM and a spin-glass-like transition, and x=0 being ferromagnetic. The evolution of the domain structure along the magnetization/demagnetization process - as seen by depolarization - is strongly asymmetric, with maximum change in the domain structure only after magnetization reversal (typical domain size {delta}{approx}3 {mu}m in the virgin state). Near T{sub c}, the alloy approached the behavior of FM PdFe, showing a symmetric change of domain structure on the applied field.

Absence of magnetic long-range order in Y2CrSbO7 : Bond-disorder-induced magnetic frustration in a ferromagnetic pyrochlore

Science.gov (United States)

Shen, L.; Greaves, C.; Riyat, R.; Hansen, T. C.; Blackburn, E.

2017-09-01

The consequences of random nonmagnetic-ion dilution for the pyrochlore family Y2(M 1 -xN x)2O7 (M = magnetic ion, N = nonmagnetic ion) have been investigated. As a first step, we experimentally examine the magnetic properties of Y2CrSbO7 (x =0.5 ), in which the magnetic sites (Cr3 +) are percolative. Although the effective Cr-Cr spin exchange is ferromagnetic, as evidenced by a positive Curie-Weiss temperature, ΘCW ≃19.5 K , our high-resolution neutron powder diffraction measurements detect no sign of magnetic long-range order down to 2 K. In order to understand our observations, we construct a lattice model to numerically study the bond disorder introduced by the ionic size mismatch between M and N , which reveals that the bond disorder percolates at xb ≃0.23 , explaining the absence of magnetic long-range order. This model could be applied to a series of frustrated magnets with a pyrochlore sublattice, for example, the spinel compound Zn (Cr1 -xGax )2O4 , wherein a Néel to spin glass phase transition occurs between x =0.2 and 0.25 [Lee et al., Phys. Rev. B 77, 014405 (2008), 10.1103/PhysRevB.77.014405]. Our study stresses the non-negligible role of bond disorder on magnetic frustration, even in ferromagnets.

Catalytic hydrodechlorination of trichloroethylene in a novel NaOH/2-propanol/methanol/water system on ceria-supported Pd and Rh catalysts.

Science.gov (United States)

Cobo, Martha; Becerra, Jorge; Castelblanco, Miguel; Cifuentes, Bernay; Conesa, Juan A

2015-08-01

The catalytic hydrodechlorination (HDC) of high concentrations of trichloroethylene (TCE) (4.9 mol%, 11.6 vol%) was studied over 1%Pd, 1%Rh and 0.5%Pd-0.5%Rh catalysts supported on CeO2 under conditions of room temperature and pressure. For this, a one-phase system of NaOH/2-propanol/methanol/water was designed with molar percentages of 13.2/17.5/36.9/27.6, respectively. In this system, the alcohols delivered the hydrogen required for the reaction through in-situ dehydrogenation reactions. PdRh/CeO2 was the most active catalyst for the degradation of TCE among the evaluated materials, degrading 85% of the trichloroethylene, with alcohol dehydrogenation rates of 89% for 2-propanol and 83% for methanol after 1 h of reaction. Fresh and used catalysts were characterized by Transmission Electron Microscopy (TEM), X-ray Photoelectron Spectroscopy (XPS), and Thermogravimetric analysis (TGA). These results showed important differences of the active phase in each catalyst sample. Rh/CeO2 had particle sizes smaller than 1 nm and the active metal was partially oxidized (Rh(0)/Rh(+δ) ratio of 0.43). This configuration showed to be suitable for alcohols dehydrogenation. On the contrary, Pd/CeO2 showed a Pd completed oxidized and with a mean particle size of 1.7 nm, which seemed to be unfavorable for both, alcohols dehydrogenation and TCE HDC. On PdRh/CeO2, active metals presented a mean particle size of 2.7 nm and more reduced metallic species, with ratios of Rh(0)/Rh(+δ) = 0.67 and Pd(0)/Pd(+δ) = 0.28, which showed to be suitable features for the TCE HDC. On the other hand, TGA results suggested some deposition of NaCl residues over the catalyst surfaces. Thus, the new reaction system using PdRh/CeO2 allowed for the degradation of high concentrations of the chlorinated compound by using in situ hydrogen liquid donors in a reaction at room temperature and pressure. Copyright © 2015 Elsevier Ltd. All rights reserved.

Mixed valence and metamagnetism in a metal flux grown compound Eu2Pt3Si5

International Nuclear Information System (INIS)

Sarkar, Sumanta; Subbarao, Udumula; Joseph, Boby; Peter, Sebastian C.

2015-01-01

A new compound Eu 2 Pt 3 Si 5 with plate shaped morphology has been grown from excess In flux. The compound crystallizes in the orthorhombic U 2 Co 3 Si 5 structure type, Ibam space group and the lattice parameters are a=10.007(2) Å, b=11.666(2) Å and c=6.0011(12) Å. The crystal structure of this compound can be conceived as inter-twinned chains of [Pt 2 Si 2 ] and [PtSi 3 ] tetrahedra connected along [100] direction to give rise to a complex three dimensional [Pt 3 Si 5 ] network. Temperature dependent magnetic susceptibility data suggests that Eu 2 Pt 3 Si 5 undergoes a strong antiferromagnetic ordering (T N =19 K) followed by a weak ferromagnetic transition (T C =5.5 K). The effective magnetic moment/Eu obtained from susceptibility data is 6.78 μ B accounts mixed valent Eu with almost 85% divalent Eu, which is supported by X-ray absorption near edge spectroscopy. The compound undergoes a metamagnetic transition under applied magnetic field through a probable spin flop mechanism. - Graphical abstract: Eu 2 Pt 3 Si 5 , a new member in the U 2 Co 3 Si 5 (Ibam) family undergoes metamagnetic transition at high magnetic field and Eu is in mixed valence state. - Highlights: • A new compound Eu 2 Pt 3 Si 5 has been synthesized using indium as an inactive metal flux. • The compound undergoes metamagnetic transition at higher field. • Eu in this compound resides in a mixed valence state

Highly-efficient photocatalytic degradation of methylene blue by PoPD-modified TiO 2 nanocomposites due to photosensitization-synergetic effect of TiO2 with PoPD.