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Sample records for co2-based heusler compounds

  1. Electronic and magnetic properties of the Co2-based Heusler compounds under pressure: first-principles and Monte Carlo studies

    NASA Astrophysics Data System (ADS)

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

    2016-09-01

    Structural, magnetic and electronic properties of stoichiometric Co2 YZ Heusler alloys (Y  =  Cr, Fe, Mn and Z  =  Al, Si, Ge) have been studied by means of ab initio calculations and Monte Carlo simulations. The investigations were performed in dependence on different levels of approximations in DFT (FP and ASA modes, as well as GGA and GGA  +  U schemes) and external pressure. It is shown that in the case of the GGA scheme the half-metallic behavior is clearly observed for compounds containing Cr and Mn transition metals, while Co2FeZ alloys demonstrate the pseudo half-metallic behavior. It is demonstrated that an applied pressure and an account of Coulomb repulsion (U) lead to the stabilization of the half-metallic nature for Co2 YZ alloys. The strongest ferromagnetic inter-sublattice (Co–Y) interactions together with intra-sublattice (Co–Co and Y–Y) interactions explain the high values of the Curie temperature obtained by Monte Carlo simulations using the Heisenberg model. It is observed that a decrease in valence electrons of Y atoms (i.e. Fe substitution by Mn and Cr) leads to the weakening of the exchange interactions and to the reduction of the Curie temperature. Besides, in the case of the FP mode Curie temperatures were found in a good agreement with available experimental and theoretical data, where the latter were obtained by applying the empirical relation between the Curie temperature and the total magnetic moment.

  2. Electronic and magnetic properties of the Co2-based Heusler compounds under pressure: first-principles and Monte Carlo studies

    NASA Astrophysics Data System (ADS)

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

    2016-09-01

    Structural, magnetic and electronic properties of stoichiometric Co2 YZ Heusler alloys (Y  =  Cr, Fe, Mn and Z  =  Al, Si, Ge) have been studied by means of ab initio calculations and Monte Carlo simulations. The investigations were performed in dependence on different levels of approximations in DFT (FP and ASA modes, as well as GGA and GGA  +  U schemes) and external pressure. It is shown that in the case of the GGA scheme the half-metallic behavior is clearly observed for compounds containing Cr and Mn transition metals, while Co2FeZ alloys demonstrate the pseudo half-metallic behavior. It is demonstrated that an applied pressure and an account of Coulomb repulsion (U) lead to the stabilization of the half-metallic nature for Co2 YZ alloys. The strongest ferromagnetic inter-sublattice (Co-Y) interactions together with intra-sublattice (Co-Co and Y-Y) interactions explain the high values of the Curie temperature obtained by Monte Carlo simulations using the Heisenberg model. It is observed that a decrease in valence electrons of Y atoms (i.e. Fe substitution by Mn and Cr) leads to the weakening of the exchange interactions and to the reduction of the Curie temperature. Besides, in the case of the FP mode Curie temperatures were found in a good agreement with available experimental and theoretical data, where the latter were obtained by applying the empirical relation between the Curie temperature and the total magnetic moment.

  3. Basics and prospective of magnetic Heusler compounds

    NASA Astrophysics Data System (ADS)

    Felser, Claudia; Wollmann, Lukas; Chadov, Stanislav; Fecher, Gerhard H.; Parkin, Stuart S. P.

    2015-04-01

    Heusler compounds are a remarkable class of materials with more than 1000 members and a wide range of extraordinary multi-functionalities including halfmetallic high-temperature ferri- and ferromagnets, multi-ferroics, shape memory alloys, and tunable topological insulators with a high potential for spintronics, energy technologies, and magneto-caloric applications. The tunability of this class of materials is exceptional and nearly every functionality can be designed. Co2-Heusler compounds show high spin polarization in tunnel junction devices and spin-resolved photoemission. Manganese-rich Heusler compounds attract much interest in the context of spin transfer torque, spin Hall effect, and rare earth free hard magnets. Most Mn2-Heusler compounds crystallize in the inverse structure and are characterized by antiparallel coupling of magnetic moments on Mn atoms; the ferrimagnetic order and the lack of inversion symmetry lead to the emergence of new properties that are absent in ferromagnetic centrosymmetric Heusler structures, such as non-collinear magnetism, topological Hall effect, and skyrmions. Tetragonal Heusler compounds with large magneto crystalline anisotropy can be easily designed by positioning the Fermi energy at the van Hove singularity in one of the spin channels. Here, we give a comprehensive overview and a prospective on the magnetic properties of Heusler materials.

  4. Basics and prospective of magnetic Heusler compounds

    SciTech Connect

    Felser, Claudia Wollmann, Lukas; Chadov, Stanislav; Fecher, Gerhard H.; Parkin, Stuart S. P.

    2015-04-01

    Heusler compounds are a remarkable class of materials with more than 1000 members and a wide range of extraordinary multi-functionalities including halfmetallic high-temperature ferri- and ferromagnets, multi-ferroics, shape memory alloys, and tunable topological insulators with a high potential for spintronics, energy technologies, and magneto-caloric applications. The tunability of this class of materials is exceptional and nearly every functionality can be designed. Co{sub 2}-Heusler compounds show high spin polarization in tunnel junction devices and spin-resolved photoemission. Manganese-rich Heusler compounds attract much interest in the context of spin transfer torque, spin Hall effect, and rare earth free hard magnets. Most Mn{sub 2}-Heusler compounds crystallize in the inverse structure and are characterized by antiparallel coupling of magnetic moments on Mn atoms; the ferrimagnetic order and the lack of inversion symmetry lead to the emergence of new properties that are absent in ferromagnetic centrosymmetric Heusler structures, such as non-collinear magnetism, topological Hall effect, and skyrmions. Tetragonal Heusler compounds with large magneto crystalline anisotropy can be easily designed by positioning the Fermi energy at the van Hove singularity in one of the spin channels. Here, we give a comprehensive overview and a prospective on the magnetic properties of Heusler materials.

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

    NASA Astrophysics Data System (ADS)

    Felser, Claudia; Hillebrands, Burkard

    2009-04-01

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

  6. Thermodynamic properties and phase equilibria of selected Heusler compounds

    NASA Astrophysics Data System (ADS)

    Yin, Ming

    Heusler compounds are ternary intermetallics with many promising properties such as spin polarization and magnetic shape memory effect. A better understanding of their thermodynamic properties facilitates future design and development. Therefore, standard enthalpies of formation and heat capacities from room temperature to 1500 K of selected Heusler compounds X2YZ (X = Co, Fe, Ni, Pd, Rh, Ru; Y = Co, Cu, Fe, Hf, Mn, Ni, Ti, V, Zr; Z = Al, Ga, In, Si, Ge, Sn) and half-Heusler compounds XYSn (X = Au, Co, Fe, Ir, Ni, Pd, Pt, Rh; Y = Hf, Mn, Ti, Zr) were measured using high temperature direct reaction calorimetry. The measured standard enthalpies of formation were compared with those predicted from ab initio calculations and the extended semi-empirical Miedema's model. Trends in standard enthalpy of formation with respect to the periodic classification of elements were discussed. The effect of a fourth element (Co, Cu, Fe, Pd; Ti, V; Al, Ga, In, Si, Ge) on the standard enthalpy of formation of Ni2MnSn was also investigated. Lattice parameters of the compounds with an L21 structure were determined using X-ray powder diffraction analysis. Differential scanning calorimetry was used to determine melting points and phase transformation temperatures. Phase relationships were investigated using scanning electron microscopy with an energy dispersive spectrometer. The isothermal section of the Fe-Sn-Ti ternary system at 873 K was established using equilibrated alloys. Three ternary compounds including the Heusler compound Fe2SnTi were observed. A new ternary compound Fe5Sn9Ti 6 was reported and the crystal structure of FeSnTi2 was determined for the first time.

  7. Tunable multifunctional topological insulators in ternary Heusler compounds.

    PubMed

    Chadov, Stanislav; Qi, Xiaoliang; Kübler, Jürgen; Fecher, Gerhard H; Felser, Claudia; Zhang, Shou Cheng

    2010-07-01

    Recently the quantum spin Hall effect was theoretically predicted and experimentally realized in quantum wells based on the binary semiconductor HgTe (refs 1-3). The quantum spin Hall state and topological insulators are new states of quantum matter interesting for both fundamental condensed-matter physics and material science. Many Heusler compounds with C1(b) structure are ternary semiconductors that are structurally and electronically related to the binary semiconductors. The diversity of Heusler materials opens wide possibilities for tuning the bandgap and setting the desired band inversion by choosing compounds with appropriate hybridization strength (by the lattice parameter) and magnitude of spin-orbit coupling (by the atomic charge). Based on first-principle calculations we demonstrate that around 50 Heusler compounds show band inversion similar to that of HgTe. The topological state in these zero-gap semiconductors can be created by applying strain or by designing an appropriate quantum-well structure, similar to the case of HgTe. Many of these ternary zero-gap semiconductors (LnAuPb, LnPdBi, LnPtSb and LnPtBi) contain the rare-earth element Ln, which can realize additional properties ranging from superconductivity (for example LaPtBi; ref. 12) to magnetism (for example GdPtBi; ref. 13) and heavy fermion behaviour (for example YbPtBi; ref. 14). These properties can open new research directions in realizing the quantized anomalous Hall effect and topological superconductors.

  8. Titanium nitride as a seed layer for Heusler compounds

    SciTech Connect

    Niesen, Alessia Glas, Manuel; Ludwig, Jana; Schmalhorst, Jan-Michael; Reiss, Günter; Sahoo, Roshnee; Ebke, Daniel; Arenholz, Elke

    2015-12-28

    Titanium nitride (TiN) shows low resistivity at room temperature (27 μΩ cm), high thermal stability and thus has the potential to serve as seed layer in magnetic tunnel junctions. High quality TiN thin films with regard to the crystallographic and electrical properties were grown and characterized by x-ray diffraction and 4-terminal transport measurements. Element specific x-ray absorption spectroscopy revealed pure TiN inside the thin films. To investigate the influence of a TiN seed layer on a ferro(i)magnetic bottom electrode in magnetic tunnel junctions, an out-of-plane magnetized Mn{sub 2.45}Ga as well as in- and out-of-plane magnetized Co{sub 2}FeAl thin films were deposited on a TiN buffer, respectively. The magnetic properties were investigated using a superconducting quantum interference device and anomalous Hall effect for Mn{sub 2.45}Ga. Magneto optical Kerr effect measurements were carried out to investigate the magnetic properties of Co{sub 2}FeAl. TiN buffered Mn{sub 2.45}Ga thin films showed higher coercivity and squareness ratio compared to unbuffered samples. The Heusler compound Co{sub 2}FeAl showed already good crystallinity when grown at room temperature on a TiN seed-layer.

  9. Extrinsic doping of the half-Heusler compounds.

    PubMed

    Stern, Robin; Dongre, Bonny; Madsen, Georg K H

    2016-08-19

    Controlling the p- and n-type doping is a key tool to improve the power-factor of thermoelectric materials. In the present work we provide a detailed understanding of the defect thermochemistry in half-Heusler compounds. We calculate the formation energies of intrinsic and extrinsic defects in state of the art n-type TiNiSn and p-type TiCoSb thermoelectric materials. It is shown how the incorporation of online repositories can reduce the workload in these calculations. In TiNiSn we find that Ni- and Ti-interstitial defects play a crucial role in the carrier concentration of TiNiSn. Furthermore, we find that extrinsic doping with Sb can substantially enhance the carrier concentration, in agreement with experiment. In case of TiCoSb, we find ScTi, FeCo and SnSb being possible p-type dopants. While experimental work has mainly focussed on Sn-doping of the Sb site, the present result underlines the possibility to p-dope TiCoSb on all lattice sites.

  10. Extrinsic doping of the half-Heusler compounds

    NASA Astrophysics Data System (ADS)

    Stern, Robin; Dongre, Bonny; Madsen, Georg K. H.

    2016-08-01

    Controlling the p- and n-type doping is a key tool to improve the power-factor of thermoelectric materials. In the present work we provide a detailed understanding of the defect thermochemistry in half-Heusler compounds. We calculate the formation energies of intrinsic and extrinsic defects in state of the art n-type TiNiSn and p-type TiCoSb thermoelectric materials. It is shown how the incorporation of online repositories can reduce the workload in these calculations. In TiNiSn we find that Ni- and Ti-interstitial defects play a crucial role in the carrier concentration of TiNiSn. Furthermore, we find that extrinsic doping with Sb can substantially enhance the carrier concentration, in agreement with experiment. In case of TiCoSb, we find ScTi, FeCo and SnSb being possible p-type dopants. While experimental work has mainly focussed on Sn-doping of the Sb site, the present result underlines the possibility to p-dope TiCoSb on all lattice sites.

  11. Extrinsic doping of the half-Heusler compounds.

    PubMed

    Stern, Robin; Dongre, Bonny; Madsen, Georg K H

    2016-08-19

    Controlling the p- and n-type doping is a key tool to improve the power-factor of thermoelectric materials. In the present work we provide a detailed understanding of the defect thermochemistry in half-Heusler compounds. We calculate the formation energies of intrinsic and extrinsic defects in state of the art n-type TiNiSn and p-type TiCoSb thermoelectric materials. It is shown how the incorporation of online repositories can reduce the workload in these calculations. In TiNiSn we find that Ni- and Ti-interstitial defects play a crucial role in the carrier concentration of TiNiSn. Furthermore, we find that extrinsic doping with Sb can substantially enhance the carrier concentration, in agreement with experiment. In case of TiCoSb, we find ScTi, FeCo and SnSb being possible p-type dopants. While experimental work has mainly focussed on Sn-doping of the Sb site, the present result underlines the possibility to p-dope TiCoSb on all lattice sites. PMID:27389340

  12. Titanium nitride as a seed layer for Heusler compounds

    NASA Astrophysics Data System (ADS)

    Niesen, Alessia; Glas, Manuel; Ludwig, Jana; Schmalhorst, Jan-Michael; Sahoo, Roshnee; Ebke, Daniel; Arenholz, Elke; Reiss, Günter

    2015-12-01

    Titanium nitride (TiN) shows low resistivity at room temperature (27 μΩ cm), high thermal stability and thus has the potential to serve as seed layer in magnetic tunnel junctions. High quality TiN thin films with regard to the crystallographic and electrical properties were grown and characterized by x-ray diffraction and 4-terminal transport measurements. Element specific x-ray absorption spectroscopy revealed pure TiN inside the thin films. To investigate the influence of a TiN seed layer on a ferro(i)magnetic bottom electrode in magnetic tunnel junctions, an out-of-plane magnetized Mn2.45Ga as well as in- and out-of-plane magnetized Co2FeAl thin films were deposited on a TiN buffer, respectively. The magnetic properties were investigated using a superconducting quantum interference device and anomalous Hall effect for Mn2.45Ga. Magneto optical Kerr effect measurements were carried out to investigate the magnetic properties of Co2FeAl. TiN buffered Mn2.45Ga thin films showed higher coercivity and squareness ratio compared to unbuffered samples. The Heusler compound Co2FeAl showed already good crystallinity when grown at room temperature on a TiN seed-layer.

  13. Comparative ab initio study of half-Heusler compounds for optoelectronic applications

    NASA Astrophysics Data System (ADS)

    Gruhn, Thomas

    2010-09-01

    For the advancement of optoelectronic applications, such as thin-film solar cells or laser diodes, there is a strong demand for new semiconductor materials with tailored structural and electronic properties. The eight-electron half-Heusler compounds include many promising materials with a big variety of lattice constants and band gaps. So far only a small number of them have been investigated. With the help of ab initio calculations, we have studied all possible configurations of ternary 1:1:1 compounds in the half-Heusler structure. We have investigated 648 half-Heusler materials, including compounds of the types I-I-VI, I-II-V, I-III-IV, II-II-IV, and II-III-III. For all compounds, we have optimized the lattice constant and determined the most stable arrangement of elements on the half-Heusler lattice sites. Preferred configurations and semiconductivities are compared for the different half-Heusler types. A discussion of the lattice geometries provides a parameter-free function for estimating the lattice constants. The calculated band gaps and lattice constants are used to select potential substitute materials for CdS in the buffer layer of CuInSe2 and Cu(In,Ga)Se2 thin-film solar cells.

  14. Thermoelectric Properties of ZrNiSn-Based Half-Heusler Compounds

    NASA Astrophysics Data System (ADS)

    Yang, Jihui

    2002-03-01

    An increasing awareness of energy efficiency and environmental concerns has rekindled prospects for automotive and other applications of thermoelectric materials. For instance, getting “free” electric power from waste heat or obtaining cooling power from a solid-state device is very appealing for the automotive industry. ZrNiSn-based half-Heusler compounds show promising transport properties that make these materials of interest for thermoelectric power generation. The talk will focus on the effect on transport properties of alloying and doping on the various sublattices. New high temperature data will be presented that indicate that appropriately modified half-Heusler compounds possess very high power factor and relatively low thermal conductivity, leading to a dimensionless thermoelectric figure of merit ZT of 0.7 at 800 K. This is the highest ZT value for any half-Heusler compound reported so far.

  15. LaPtSb: a half-Heusler compound with high thermoelectric performance.

    PubMed

    Xue, Q Y; Liu, H J; Fan, D D; Cheng, L; Zhao, B Y; Shi, J

    2016-07-21

    The electronic and transport properties of the half-Heusler compound LaPtSb are investigated by performing first-principles calculations combined with semi-classical Boltzmann theory and deformation potential theory. Compared with many typical half-Heusler compounds, LaPtSb exhibits an obviously larger power factor at room temperature, especially for the n-type system. Together with the very low lattice thermal conductivity, the thermoelectric figure of merit (ZT) of LaPtSb can be optimized to a record high value of 2.2 by fine tuning the carrier concentration.

  16. LaPtSb: a half-Heusler compound with high thermoelectric performance.

    PubMed

    Xue, Q Y; Liu, H J; Fan, D D; Cheng, L; Zhao, B Y; Shi, J

    2016-07-21

    The electronic and transport properties of the half-Heusler compound LaPtSb are investigated by performing first-principles calculations combined with semi-classical Boltzmann theory and deformation potential theory. Compared with many typical half-Heusler compounds, LaPtSb exhibits an obviously larger power factor at room temperature, especially for the n-type system. Together with the very low lattice thermal conductivity, the thermoelectric figure of merit (ZT) of LaPtSb can be optimized to a record high value of 2.2 by fine tuning the carrier concentration. PMID:27321233

  17. Magnetic microstructure and magnetotransport in Co2FeAl Heusler compound thin films

    NASA Astrophysics Data System (ADS)

    Weiler, Mathias; Czeschka, Franz D.; Brandlmaier, Andreas; Imort, Inga-Mareen; Reiss, Günter; Thomas, Andy; Woltersdorf, Georg; Gross, Rudolf; Goennenwein, Sebastian T. B.

    2011-01-01

    We correlate simultaneously recorded magnetotransport and spatially resolved magneto-optical Kerr effect (MOKE) data in Co2FeAl Heusler compound thin films micropatterned into Hall bars. Room temperature MOKE images reveal the nucleation and propagation of domains in an externally applied magnetic field and are used to extract a macrospin corresponding to the mean magnetization direction in the Hall bar. The anisotropic magnetoresistance calculated using this macrospin is in excellent agreement with magnetoresistance measurements. This suggests that the magnetotransport in Heusler compounds can be adequately simulated using simple macrospin models, while the magnetoresistance contribution due to domain walls is of negligible importance.

  18. Evidence for localized moment picture in Mn-based Heusler compounds.

    PubMed

    Karel, J; Bernardi, F; Wang, C; Stinshoff, R; Born, N-O; Ouardi, S; Burkhardt, U; Fecher, G H; Felser, C

    2015-12-21

    X-ray absorption spectroscopy (XAS) and X-ray magnetic circular dichroism (XMCD) were used to probe the electronic structure and magnetic moment of Mn in Heusler compounds with different crystallographic structure. The results were compared with theoretical calculations of the magnetic and electronic properties, and it was found that in full and half Heusler alloys, Mn is metallic on both sublattices. The magnetic moment is large and localized when octahedrally coordinated by the main group element, consistent with previous theoretical work, and reduced when the main group coordination is tetrahedral. The magnetic and electronic properties of Mn in full and half Heusler compounds are strongly dependent on the structure and sublattice, a fact that can be exploited to design new materials.

  19. Design scheme of new tetragonal Heusler compounds for spin-transfer torque applications and its experimental realization.

    PubMed

    Winterlik, Jürgen; Chadov, Stanislav; Gupta, Arunava; Alijani, Vajiheh; Gasi, Teuta; Filsinger, Kai; Balke, Benjamin; Fecher, Gerhard H; Jenkins, Catherine A; Casper, Frederick; Kübler, Jürgen; Liu, Guo-Dong; Gao, Li; Parkin, Stuart S P; Felser, Claudia

    2012-12-11

    Band Jahn-Teller type structural instabilities of cubic Mn(2)YZ Heusler compounds causing tetragonal distortions can be predicted by ab initio band-structure calculations. This allows for identification of new Heusler materials with tunable magnetic and structural properties that can satisfy the demands for spintronic applications, such as in spin-transfer torque-based devices.

  20. Half-Heusler ternary compounds as new multifunctional experimental platforms for topological quantum phenomena.

    PubMed

    Lin, Hsin; Wray, L Andrew; Xia, Yuqi; Xu, Suyang; Jia, Shuang; Cava, Robert J; Bansil, Arun; Hasan, M Zahid

    2010-07-01

    Recent discovery of spin-polarized single-Dirac-cone insulators, whose variants can host magnetism and superconductivity, has generated widespread research activity in condensed-matter and materials-physics communities. Some of the most interesting topological phenomena, however, require topological insulators to be placed in multiply connected, highly constrained geometries with magnets and superconductors, all of which thus require a large number of functional variants with materials design flexibility as well as electronic, magnetic and superconducting tunability. Given the optimum materials, topological properties open up new vistas in spintronics, quantum computing and fundamental physics. We have extended the search for topological insulators from the binary Bi-based series to the ternary thermoelectric Heusler compounds. Here we show that, although a large majority of the well-known Heuslers such as TiNiSn and LuNiBi are rather topologically trivial, the distorted LnPtSb-type (such as LnPtBi or LnPdBi, Ln = f(n) lanthanides) compounds belonging to the half-Heusler subclass harbour Z(2) = -1 topological insulator parent states, where Z(2) is the band purity product index. Our results suggest that half-Heuslers provide a new platform for deriving a host of topologically exotic compounds and their nanoscale or thin-film device versions through the inherent flexibility of their lattice parameter, spin-orbit strength and magnetic moment tunability paving the way for the realization of multifunctional topological devices.

  1. Half-Heusler ternary compounds as new multifunctional experimental platforms for topological quantum phenomena

    NASA Astrophysics Data System (ADS)

    Lin, Hsin; Wray, L. Andrew; Xia, Yuqi; Xu, Suyang; Jia, Shuang; Cava, Robert J.; Bansil, Arun; Hasan, M. Zahid

    2010-07-01

    Recent discovery of spin-polarized single-Dirac-cone insulators, whose variants can host magnetism and superconductivity, has generated widespread research activity in condensed-matter and materials-physics communities. Some of the most interesting topological phenomena, however, require topological insulators to be placed in multiply connected, highly constrained geometries with magnets and superconductors, all of which thus require a large number of functional variants with materials design flexibility as well as electronic, magnetic and superconducting tunability. Given the optimum materials, topological properties open up new vistas in spintronics, quantum computing and fundamental physics. We have extended the search for topological insulators from the binary Bi-based series to the ternary thermoelectric Heusler compounds. Here we show that, although a large majority of the well-known Heuslers such as TiNiSn and LuNiBi are rather topologically trivial, the distorted LnPtSb-type (such as LnPtBi or LnPdBi, Ln=fn lanthanides) compounds belonging to the half-Heusler subclass harbour Z2=-1 topological insulator parent states, where Z2 is the band purity product index. Our results suggest that half-Heuslers provide a new platform for deriving a host of topologically exotic compounds and their nanoscale or thin-film device versions through the inherent flexibility of their lattice parameter, spin-orbit strength and magnetic moment tunability paving the way for the realization of multifunctional topological devices.

  2. Covalent bonding and the nature of band gaps in some half-Heusler compounds

    NASA Astrophysics Data System (ADS)

    Kandpal, Hem Chandra; Felser, Claudia; Seshadri, Ram

    2006-03-01

    Half-Heusler compounds XYZ, also called semi-Heusler compounds, crystallize in the C1b MgAgAs structure, in the space group F\\bar{4}3m . We report a systematic examination of band gaps and the nature (covalent or ionic) of bonding in semiconducting 8- and 18-electron half-Heusler compounds through first-principles density functional calculations. We find that the most appropriate description of these compounds from the viewpoint of electronic structures is one of a YZ zinc blende lattice stuffed by the X ion. Simple valence rules are obeyed for bonding in the 8-electron compound. For example, LiMgN can be written Li+ + (MgN)- and (MgN)-, which is isoelectronic with (SiSi), forms a zinc blende lattice. The 18-electron compounds can similarly be considered as obeying valence rules. A semiconductor such as TiCoSb can be written Ti4+ + (CoSb)4-; the latter unit is isoelectronic and isostructural with zinc-blende GaSb. For both the 8- and the 18-electron compounds, when X is fixed as some electropositive cation, the computed band gap varies approximately as the difference in Pauling electronegativities of Y and Z. What is particularly exciting is that this simple idea of a covalently bonded YZ lattice can also be extended to the very important magnetic half-Heusler phases; we describe these as valence compounds, i.e. possessing a band gap at the Fermi energy albeit only in one spin direction. The local moment in these magnetic compounds resides on the X site.

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

    NASA Astrophysics Data System (ADS)

    Felser, Claudia; Hillebrands, Burkard

    2007-03-01

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

  4. Half-Heusler compounds as a new class of three-dimensional topological insulators.

    PubMed

    Xiao, Di; Yao, Yugui; Feng, Wanxiang; Wen, Jun; Zhu, Wenguang; Chen, Xing-Qiu; Stocks, G Malcolm; Zhang, Zhenyu

    2010-08-27

    Using first-principles calculations within density functional theory, we explore the feasibility of converting ternary half-Heusler compounds into a new class of three-dimensional topological insulators (3DTI). We demonstrate that the electronic structure of unstrained LaPtBi as a prototype system exhibits a distinct band-inversion feature. The 3DTI phase is realized by applying a uniaxial strain along the [001] direction, which opens a band gap while preserving the inverted band order. A definitive proof of the strained LaPtBi as a 3DTI is provided by directly calculating the topological Z2 invariants in systems without inversion symmetry. We discuss the implications of the present study to other half-Heusler compounds as 3DTI, which, together with the magnetic and superconducting properties of these materials, may provide a rich platform for novel quantum phenomena.

  5. Tunable damping in the Heusler compound Co2 -xIrxMnSi

    NASA Astrophysics Data System (ADS)

    Köhler, Albrecht; Wollmann, Lukas; Ebke, Daniel; Chadov, Stanislav; Kaiser, Christian; Diao, Zhitao; Zheng, Yuankai; Leng, Qunwen; Felser, Claudia

    2016-03-01

    Here we report on the realization of tuning the intrinsic damping in the half-metallic Heusler compound Co2MnSi by substituting Co by Ir. The work includes theoretical calculations and experimental measurements on bulk and thin films samples. Control of damping is to remove unwanted magnetization motion and suppress signal echoes through uncontrolled precession of the magnetization for future implementation of this material into, e.g., current perpendicular plane-giant-magnetoresistance sensors. Density functional calculations revealed stable magnetization and increasing damping parameter with Iridium concentration, whereas the half metallicity could be retained. The calculations are consistent with experimental results from bulk and thin film samples of this report and elucidate the linear dependence of the Gilbert damping parameter on the substituent concentration. This report again demonstrates the inherent tunability of Heusler compounds, which constitutes a pivotal feature of this material class.

  6. Magnon excitation and temperature dependent transport properties in magnetic tunnel junctions with Heusler compound electrodes

    NASA Astrophysics Data System (ADS)

    Drewello, Volker; Ebke, Daniel; Schäfers, Markus; Kugler, Zoë; Reiss, Günter; Thomas, Andy

    2012-04-01

    Magnetic tunnel junctions were prepared with the Heusler compounds Co2FeAl, Co2FeSi, and Co2MnSi as the soft magnetic electrode. The Co2MnSi electrodes had a multilayer design that used either the Co2FeAl or the Co2FeSi compound as a buffer material. Pinned Co-Fe was used as the hard reference electrode. The electronic transport characteristics were analyzed by tunneling spectroscopy. The dependence of sample properties on the buffer material was of interest, especially the gap in the minority density of states of the Heusler electrode. The temperature dependence of the transport properties was also investigated.

  7. Multilayer heterostructures of magnetic Heusler and binary compounds from first principles

    NASA Astrophysics Data System (ADS)

    Garoufalis, Christos; Galanakis, Iosif

    2016-03-01

    Employing first-principles state-of-the-art electronic structure calculations, we study a series of multilayer heterostructures composed of ferro/ferrimagnetic half-metallic Heusler compounds and binary compounds presenting perpendicular magnetic anisotropy. We relax these heterostructures and study both their electronic and magnetic properties. In most studied cases the Heusler spacer keeps a large value of spin-polarization at the Fermi level even for ultrathin films which attends the maximum value of 100% in the case of the Mn2VSi/MnSi multilayer. Our results pave the way both experimentally and theoretically towards the growth of such multilayer heterostructures and their incorporation in spintronic/magnetoelectronic devices.

  8. Half-Heusler Compounds as a New Class of Three-Dimensional Topological Insulators

    SciTech Connect

    Xiao, Di; Yao, yugui; Feng, wanxiang; Wen, Jun; Zhu, Wenguang; Chen, Xingqiu; Stocks, George Malcolm; Zhang, Zhenyu

    2010-01-01

    Using rst-principles calculations within density functional theory, we explore the feasibility of converting ternary half-Heusler compounds into a new class of three-dimensional topological insu- lators (3DTI). We demonstrate that the electronic structure of unstrained LaPtBi as a prototype system exhibits distinct band-inversion feature. The 3DTI phase is realized by applying a uni- axial strain along the [001] direction, which opens a bandgap while preserving the inverted band order. A denitive proof of the strained LaPtBi as a 3DTI is provided by directly calculating the topological Z2 invariants in systems without inversion symmetry. We discuss the implications of the present study to other half-Heusler compounds as 3DTI, which, together with the magnetic and superconducting properties of these materials, may provide a rich platform for novel quantum phenomena.

  9. Fast preparation and thermal transport property of TiCoSb-based half-Heusler compounds

    NASA Astrophysics Data System (ADS)

    Xie, Wen-Jie; Tang, Xin-Feng; Zhang, Qing-Jie

    2007-11-01

    TiCoSb-based half-Heusler compounds with the substitution of Zr for Ti have been prepared quickly by combining high-energy ball milling method with spark plasma sintering technique, and their thermal transport properties have been investigated. With the increase of the concentration of Zr, the thermal conductivity of Ti1-xZrxCoSb compounds decreases significantly. Compared with the thermal conductivity of TiCoSb compound, that of Ti0.5Zr0.5CoSb decreases by 200% at 1000 K.

  10. Non-Gilbert-damping Mechanism in a Ferromagnetic Heusler Compound Probed by Nonlinear Spin Dynamics.

    PubMed

    Pirro, P; Sebastian, T; Brächer, T; Serga, A A; Kubota, T; Naganuma, H; Oogane, M; Ando, Y; Hillebrands, B

    2014-11-28

    The nonlinear decay of propagating spin waves in the low-Gilbert-damping Heusler film Co_{2}Mn_{0.6}Fe_{0.4}Si is reported. Here, two initial magnons with frequency f_{0} scatter into two secondary magnons with frequencies f_{1} and f_{2}. The most remarkable observation is that f_{1} stays fixed if f_{0} is changed. This indicates, that the f_{1} magnon mode has the lowest instability threshold, which, however, cannot be understood if only Gilbert damping is present. We show that the observed behavior is caused by interaction of the magnon modes f_{1} and f_{2} with the thermal magnon bath. This evidences a significant contribution of the intrinsic magnon-magnon scattering mechanisms to the magnetic damping in high-quality Heusler compounds.

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

    NASA Astrophysics Data System (ADS)

    Felser, Claudia; Hillebrands, Burkard

    2007-03-01

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

  12. Thermoelectric performance of half-Heusler compounds TiNiSn and TiCoSb

    NASA Astrophysics Data System (ADS)

    Wang, L. L.; Miao, L.; Wang, Z. Y.; Wei, W.; Xiong, R.; Liu, H. J.; Shi, J.; Tang, X. F.

    2009-01-01

    The electronic structures of half-Heusler compounds TiNiSn and TiCoSb are investigated by using the full-potential linearized augmented plane-wave method. When the spin-orbital coupling is included in the calculations, there is only a slight change in the energy band structures. The transport coefficients (Seebeck coefficient, electrical conductivity, and power factor) are then calculated within the Boltzmann theory, and further evaluated as a function of chemical potential assuming a rigid band picture. Our calculations offer a valuable insight on how to improve the thermoelectric performance of these two compounds.

  13. Observation of unusual topological surface states in half-Heusler compounds LnPtBi (Ln=Lu, Y)

    PubMed Central

    Liu, Z. K.; Yang, L. X.; Wu, S.-C.; Shekhar, C.; Jiang, J.; Yang, H. F.; Zhang, Y.; Mo, S.-K.; Hussain, Z.; Yan, B.; Felser, C.; Chen, Y. L.

    2016-01-01

    Topological quantum materials represent a new class of matter with both exotic physical phenomena and novel application potentials. Many Heusler compounds, which exhibit rich emergent properties such as unusual magnetism, superconductivity and heavy fermion behaviour, have been predicted to host non-trivial topological electronic structures. The coexistence of topological order and other unusual properties makes Heusler materials ideal platform to search for new topological quantum phases (such as quantum anomalous Hall insulator and topological superconductor). By carrying out angle-resolved photoemission spectroscopy and ab initio calculations on rare-earth half-Heusler compounds LnPtBi (Ln=Lu, Y), we directly observe the unusual topological surface states on these materials, establishing them as first members with non-trivial topological electronic structure in this class of materials. Moreover, as LnPtBi compounds are non-centrosymmetric superconductors, our discovery further highlights them as promising candidates of topological superconductors. PMID:27671444

  14. Weyl points in the ferromagnetic Heusler compound Co2MnAl

    NASA Astrophysics Data System (ADS)

    Kübler, J.; Felser, C.

    2016-05-01

    The anomalous Hall conductivity (AHC) in some ferromagnetic and antiferromagnetic Heusler compounds was theoretically and experimentally found to be exceptionally large. For the case of ferromagnetic Co2MnAl we here argue that the large AHC is connected with the appearance of Weyl points near the Fermi energy. We find four Weyl points slightly above the Fermi edge. We describe our analysis for a magnetization being in the (110)-direction. For the possible (100)-direction we find at least four Weyl points, too. We predict that Co2MnGa also possesses Weyl points near or at the Fermi energy.

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

    PubMed

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

    2016-01-01

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

  16. Magnetic properties and interfacial characteristics of all-epitaxial Heusler-compound stacking structures

    NASA Astrophysics Data System (ADS)

    Yamada, S.; Honda, S.; Hirayama, J.; Kawano, M.; Santo, K.; Tanikawa, K.; Kanashima, T.; Itoh, H.; Hamaya, K.

    2016-09-01

    We study magnetic properties and interfacial characteristics of all-epitaxial D 03-Fe3Si /L 21 - Fe3 -xMnxSi /L 21-Co2FeSi Heusler-compound trilayers grown on Ge(111) by room-temperature molecular beam epitaxy. We find that the magnetization reversal processes can be intentionally designed by changing the chemical composition of the intermediate Fe3 -xMnxSi layers because of their tunable ferromagnetic-paramagnetic phase-transition temperature. From first-principles calculations, interfacial half metallicity in the Co2FeSi layer is nearly expected when the sequence of stacking layers along <111 > of the Fe2MnSi /Co2FeSi interface includes the atomic row of L 21 - or B 2 -ordered structures. We believe that Co2FeSi /Fe2MnSi /Co2FeSi trilayer systems stacked along <111 > will open a new avenue for high-performance current-perpendicular-to-plane giant magnetoresistive devices with Heusler compounds.

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

    PubMed

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

    2016-01-01

    Spin-orbit coupling (SOC) is expected to partly determine the topologically nontrivial electronic structure of heavy half-Heusler ternary compounds. However, to date, attempts to experimentally observe either the strength of SOC or how it modifies the bulk band structure have been unsuccessful. By using bulk-sensitive nuclear magnetic resonance (NMR) spectroscopy combined with first-principles calculations, we reveal that (209)Bi NMR isotropic shifts scale with relativity in terms of the strength of SOC and average atomic numbers, indicating strong relativistic effects on NMR parameters. According to first-principles calculations, we further claim that nuclear magnetic shieldings from relativistic p1/2 states and paramagnetic contributions from low-lying unoccupied p3/2 states are both sensitive to the details of band structures tuned by relativity, which explains why the hidden relativistic effects on band structure can be revealed by (209)Bi NMR isotropic shifts in topologically nontrivial half-Heusler compounds. Used in complement to surface-sensitive methods, such as angle resolved photon electron spectroscopy and scanning tunneling spectroscopy, NMR can provide valuable information on bulk electronic states. PMID:26980406

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

    PubMed Central

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

    2016-01-01

    Spin-orbit coupling (SOC) is expected to partly determine the topologically nontrivial electronic structure of heavy half-Heusler ternary compounds. However, to date, attempts to experimentally observe either the strength of SOC or how it modifies the bulk band structure have been unsuccessful. By using bulk-sensitive nuclear magnetic resonance (NMR) spectroscopy combined with first-principles calculations, we reveal that 209Bi NMR isotropic shifts scale with relativity in terms of the strength of SOC and average atomic numbers, indicating strong relativistic effects on NMR parameters. According to first-principles calculations, we further claim that nuclear magnetic shieldings from relativistic p1/2 states and paramagnetic contributions from low-lying unoccupied p3/2 states are both sensitive to the details of band structures tuned by relativity, which explains why the hidden relativistic effects on band structure can be revealed by 209Bi NMR isotropic shifts in topologically nontrivial half-Heusler compounds. Used in complement to surface-sensitive methods, such as angle resolved photon electron spectroscopy and scanning tunneling spectroscopy, NMR can provide valuable information on bulk electronic states. PMID:26980406

  19. Long-term stability of phase-separated half-Heusler compounds.

    PubMed

    Krez, J; Balke, B; Ouardi, S; Selle, S; Höche, T; Felser, C; Hermes, W; Schwind, M

    2015-11-28

    Half-Heusler (HH) compounds have shown high figure of merit up to 1.5. Here, we address the long-term stability of n- and p-type HH materials. For this purpose, we investigated HH materials based on the Ti0.3Zr0.35Hf0.35NiSn-system after 500 cycles (1700 h) from 373 to 873 K. Both compounds exhibit a maximum Seebeck coefficient of |α|≈ 210 μV K(-1) and a phase separation into two HH phases. The dendritic microstructure is temperature resistant and upon cycling the changes in the microstructure are so marginal that the low thermal conductivity values (κ < 4 W m(-1) K(-1)) could be maintained. Our results emphasize that phase-separated HH compounds are suitable low cost materials and can lead to enhanced thermoelectric efficiencies beyond the set benchmark for industrial applications.

  20. Searching for hexagonal analogues of the half-metallic half-Heusler XYZ compounds

    NASA Astrophysics Data System (ADS)

    Casper, Frederick; Felser, Claudia; Seshadri, Ram; Sebastian, C. Peter; Pöttgen, Rainer

    2008-02-01

    The XYZ half-Heusler crystal structure can conveniently be described as a tetrahedral zinc blende YZ structure which is stuffed by a slightly ionic X species. This description is well suited to understanding the electronic structure of semiconducting 8-electron compounds such as LiAlSi (formulated Li+[AlSi]-) or semiconducting 18-electron compounds such as TiCoSb (formulated Ti4+[CoSb]4-). The basis for this is that [AlSi]- (with the same electron count as Si2) and [CoSb]4- (the same electron count as GaSb) are both, structurally and electronically, zinc blende semiconductors. The electronic structure of half-metallic ferromagnets in this structure type can then be described as semiconductors with stuffing magnetic ions which have a local moment: for example, 22-electron MnNiSb can be written Mn3+[NiSb]3-. The tendency in the 18-electron compound for a semiconducting gap—believed to arise from strong covalency—is carried over in MnNiSb to a tendency for a gap in one-spin direction. Here we similarly propose the systematic examination of 18-electron hexagonal compounds for semiconducting gaps; these would be the 'stuffed wurtzite' analogues of the 'stuffed zinc blende' half-Heusler compounds. These semiconductors could then serve as the basis for possibly new families of half-metallic compounds, attained through appropriate replacement of non-magnetic ions by magnetic ones. These semiconductors and semimetals with tunable charge carrier concentrations could also be interesting in the context of magnetoresistive and thermoelectric materials.

  1. Direct observation of half-metallicity in the Heusler compound Co2MnSi.

    PubMed

    Jourdan, M; Minár, J; Braun, J; Kronenberg, A; Chadov, S; Balke, B; Gloskovskii, A; Kolbe, M; Elmers, H J; Schönhense, G; Ebert, H; Felser, C; Kläui, M

    2014-01-01

    Ferromagnetic thin films of Heusler compounds are highly relevant for spintronic applications owing to their predicted half-metallicity, that is, 100% spin polarization at the Fermi energy. However, experimental evidence for this property is scarce. Here we investigate epitaxial thin films of the compound Co2MnSi in situ by ultraviolet-photoemission spectroscopy, taking advantage of a novel multi-channel spin filter. By this surface sensitive method, an exceptionally large spin polarization of (93(-11)(+7)) % at room temperature is observed directly. As a more bulk sensitive method, additional ex situ spin-integrated high energy X-ray photoemission spectroscopy experiments are performed. All experimental results are compared with advanced band structure and photoemission calculations which include surface effects. Excellent agreement is obtained with calculations, which show a highly spin polarized bulk-like surface resonance ingrained in a half metallic bulk band structure.

  2. Progress Report 2011: Understanding compound phase transitions in Heusler alloy giant magnetocaloric materials

    SciTech Connect

    Stadler, Shane

    2011-12-13

    Our goal is to gain insight into the fundamental physics that is responsible for magnetocaloric effects (MCE) and related properties at the atomic level. We are currently conducting a systematic study on the effects of atomic substitutions in Ni2MnGa-based alloys, and also exploring related full- and half-Heusler alloys, for example Ni-Mn-X (X=In, Sn, Sb), that exhibit a wide variety of interesting and potentially useful physical phenomena. It is already known that the magnetocaloric effect in the Heusler alloys is fundamentally connected to other interesting phenomena such as shape-memory properties. And the large magnetic entropy change in Ni2Mn0.75Cu0.25Ga has been attributed to the coupling of the first-order, martensitic transition with the second-order ferromagnetic paramagnetic (FM-PM) transition. Our research to this point has focused on understanding the fundamental physics at the origin of these complex, compound phase transitions, and the novel properties that emerge. We synthesize the materials using a variety of techniques, and explore their material properties through structural, magnetic, transport, and thermo-magnetic measurements.

  3. Rapid Microwave Preparation of Thermoelectric TiNiSn and TiCoSb Half-Heusler Compounds

    SciTech Connect

    Birkel, Christina S.; Zeier, Wolfgang G.; Douglas, Jason E.; Lettiere, Bethany R.; Mills, Carolyn E.; Seward, Gareth; Birkel, Alexander; Snedaker, Matthew L.; Zhang, Yichi; Snyder, G. Jeffrey; Pollock, Tresa M.; Seshadri, Ram; Stucky, Galen D.

    2012-10-25

    The 18-electron ternary intermetallic systems TiNiSn and TiCoSb are promising for applications as high-temperature thermoelectrics and comprise earth-abundant, and relatively nontoxic elements. Heusler and half-Heusler compounds are usually prepared by conventional solid state methods involving arc-melting and annealing at high temperatures for an extended period of time. Here, we report an energy-saving preparation route using a domestic microwave oven, reducing the reaction time significantly from more than a week to one minute. A microwave susceptor material rapidly heats the elemental starting materials inside an evacuated quartz tube resulting in near single phase compounds. The initial preparation is followed by a densification step involving hot-pressing, which reduces the amount of secondary phases, as verified by synchrotron X-ray diffraction, leading to the desired half-Heusler compounds, demonstrating that hot-pressing should be treated as part of the preparative process. For TiNiSn, high thermoelectric power factors of 2 mW/mK{sup 2} at temperatures in the 700 to 800 K range, and zT values of around 0.4 are found, with the microwave-prepared sample displaying somewhat superior properties to conventionally prepared half-Heuslers due to lower thermal conductivity. The TiCoSb sample shows a lower thermoelectric figure of merit when prepared using microwave methods because of a metallic second phase.

  4. Conditions for spin-gapless semiconducting behavior in Mn{sub 2}CoAl inverse Heusler compound

    SciTech Connect

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

    2014-03-07

    Employing ab initio electronic structure calculations, we investigate the conditions for spin-gapless semiconducting (SGS) behavior in the inverse Mn{sub 2}CoAl Heusler compound. We show that tetragonalization of the lattice, which can occur during films growth, keeps the SGS character of the perfect cubic compound. On the contrary, atomic swaps even between sites with different local symmetry destroy the SGS character giving rise to a half-metallic state. Furthermore, the occurrence of Co-surplus leads also to half-metallicity. Thus, we propose that in order to achieve SGS behavior during the growth of Mn{sub 2}CoAl (and similar SGS Heusler compounds) thin films, one should minimize the occurrence of defects, while small deformations of the lattice, due to the lattice mismatch with the substrate, do not play a crucial role.

  5. Band structure and transport studies of half Heusler compound DyPdBi: An efficient thermoelectric material

    NASA Astrophysics Data System (ADS)

    Krishnaveni, S.; Sundareswari, M.; Deshmukh, P. C.; Valluri, S. R.; Roberts, Ken

    2016-05-01

    The discovery of Heusler alloys has revolutionized the research field of intermetallics due to the ease with which one can derive potential candidates for multifunctional applications. During recent years, many half Heusler alloys have been investigated for their thermoelectric properties. The f electron based rare earth ternary half Heusler compound DyPdBi has its f energy levels located close to the Fermi energy level. Other research efforts have emphasized that such materials have good thermoelectric capabilities. We have explored using first principles the electronic band structure of DyPdBi by use of different exchange correlation potentials in the density functional theoretical framework. Transport coefficients that arise in the study of thermoelectric properties of DyPdBi have been calculated and illustrate its potential as an efficient thermoelectric material. Both the theoretically estimated Seebeck coefficient and the power factor agree well with the available experimental results. Our calculations illustrate that it is essential to include spin-orbit coupling in these models of f electron half Heusler materials.

  6. Electronic structure of Pt based topological Heusler compounds with C1{sub b} structure and 'zero band gap'

    SciTech Connect

    Ouardi, Siham; Shekhar, Chandra; Fecher, Gerhard H.; Kozina, Xeniya; Stryganyuk, Gregory; Felser, Claudia; Ueda, Shigenori; Kobayashi, Keisuke

    2011-05-23

    Besides of their well-known wide range of properties it was recently shown that many of the heavy Heusler semiconductors with 1:1:1 composition and C1{sub b} structure exhibit a zero band gap behavior and are topological insulators induced by their inverted band structure. In the present study, the electronic structure of the Heusler compounds PtYSb and PtLaBi was investigated by bulk sensitive hard x-ray photoelectron spectroscopy. The measured valence band spectra are clearly resolved and in well agreement to the first-principles calculations of the electronic structure of the compounds. The experimental results give clear evidence for the zero band gap state.

  7. Full-scale computation for all the thermoelectric property parameters of half-Heusler compounds

    PubMed Central

    Hong, A. J.; Li, L.; He, R.; Gong, J. J.; Yan, Z. B.; Wang, K. F.; Liu, J. -M.; Ren, Z. F.

    2016-01-01

    The thermoelectric performance of materials relies substantially on the band structures that determine the electronic and phononic transports, while the transport behaviors compete and counter-act for the power factor PF and figure-of-merit ZT. These issues make a full-scale computation of the whole set of thermoelectric parameters particularly attractive, while a calculation scheme of the electronic and phononic contributions to thermal conductivity remains yet challenging. In this work, we present a full-scale computation scheme based on the first-principles calculations by choosing a set of doped half-Heusler compounds as examples for illustration. The electronic structure is computed using the WIEN2k code and the carrier relaxation times for electrons and holes are calculated using the Bardeen and Shockley’s deformation potential (DP) theory. The finite-temperature electronic transport is evaluated within the framework of Boltzmann transport theory. In sequence, the density functional perturbation combined with the quasi-harmonic approximation and the Klemens’ equation is implemented for calculating the lattice thermal conductivity of carrier-doped thermoelectric materials such as Ti-doped NbFeSb compounds without losing a generality. The calculated results show good agreement with experimental data. The present methodology represents an effective and powerful approach to calculate the whole set of thermoelectric properties for thermoelectric materials. PMID:26947395

  8. Full-scale computation for all the thermoelectric property parameters of half-Heusler compounds.

    PubMed

    Hong, A J; Li, L; He, R; Gong, J J; Yan, Z B; Wang, K F; Liu, J-M; Ren, Z F

    2016-01-01

    The thermoelectric performance of materials relies substantially on the band structures that determine the electronic and phononic transports, while the transport behaviors compete and counter-act for the power factor PF and figure-of-merit ZT. These issues make a full-scale computation of the whole set of thermoelectric parameters particularly attractive, while a calculation scheme of the electronic and phononic contributions to thermal conductivity remains yet challenging. In this work, we present a full-scale computation scheme based on the first-principles calculations by choosing a set of doped half-Heusler compounds as examples for illustration. The electronic structure is computed using the WIEN2k code and the carrier relaxation times for electrons and holes are calculated using the Bardeen and Shockley's deformation potential (DP) theory. The finite-temperature electronic transport is evaluated within the framework of Boltzmann transport theory. In sequence, the density functional perturbation combined with the quasi-harmonic approximation and the Klemens' equation is implemented for calculating the lattice thermal conductivity of carrier-doped thermoelectric materials such as Ti-doped NbFeSb compounds without losing a generality. The calculated results show good agreement with experimental data. The present methodology represents an effective and powerful approach to calculate the whole set of thermoelectric properties for thermoelectric materials.

  9. Realization of spin gapless semiconductors: the Heusler compound Mn2CoAl.

    PubMed

    Ouardi, Siham; Fecher, Gerhard H; Felser, Claudia; Kübler, Jürgen

    2013-03-01

    Recent studies have reported an interesting class of semiconductor materials that bridge the gap between semiconductors and half-metallic ferromagnets. These materials, called spin gapless semiconductors, exhibit a band gap in one of the spin channels and a zero band gap in the other and thus allow for tunable spin transport. Here, we report the first experimental verification of the spin gapless magnetic semiconductor Mn(2)CoAl, an inverse Heusler compound with a Curie temperature of 720 K and a magnetic moment of 2 μ(B). Below 300 K, the compound exhibits nearly temperature-independent conductivity, very low, temperature-independent carrier concentration, and a vanishing Seebeck coefficient. The anomalous Hall effect is comparatively low, which is explained by the symmetry properties of the Berry curvature. Mn(2) CoAl is not only suitable material for room temperature semiconductor spintronics, the robust spin polarization of the spin gapless semiconductors makes it very promising material for spintronics in general.

  10. Full-scale computation for all the thermoelectric property parameters of half-Heusler compounds

    DOE PAGESBeta

    Hong, A. J.; Li, L.; He, R.; Gong, J. J.; Yan, Z. B.; Wang, K. F.; Liu, J. -M.; Ren, Z. F.

    2016-03-07

    The thermoelectric performance of materials relies substantially on the band structures that determine the electronic and phononic transports, while the transport behaviors compete and counter-act for the power factor PF and figure-of-merit ZT. These issues make a full-scale computation of the whole set of thermoelectric parameters particularly attractive, while a calculation scheme of the electronic and phononic contributions to thermal conductivity remains yet challenging. In this work, we present a full-scale computation scheme based on the first-principles calculations by choosing a set of doped half- Heusler compounds as examples for illustration. The electronic structure is computed using the WIEN2k codemore » and the carrier relaxation times for electrons and holes are calculated using the Bardeen and Shockley’s deformation potential (DP) theory. The finite-temperature electronic transport is evaluated within the framework of Boltzmann transport theory. In sequence, the density functional perturbation combined with the quasi-harmonic approximation and the Klemens’ equation is implemented for calculating the lattice thermal conductivity of carrier-doped thermoelectric materials such as Tidoped NbFeSb compounds without losing a generality. The calculated results show good agreement with experimental data. Lastly, the present methodology represents an effective and powerful approach to calculate the whole set of thermoelectric properties for thermoelectric materials.« less

  11. Full-scale computation for all the thermoelectric property parameters of half-Heusler compounds

    NASA Astrophysics Data System (ADS)

    Hong, A. J.; Li, L.; He, R.; Gong, J. J.; Yan, Z. B.; Wang, K. F.; Liu, J.-M.; Ren, Z. F.

    2016-03-01

    The thermoelectric performance of materials relies substantially on the band structures that determine the electronic and phononic transports, while the transport behaviors compete and counter-act for the power factor PF and figure-of-merit ZT. These issues make a full-scale computation of the whole set of thermoelectric parameters particularly attractive, while a calculation scheme of the electronic and phononic contributions to thermal conductivity remains yet challenging. In this work, we present a full-scale computation scheme based on the first-principles calculations by choosing a set of doped half-Heusler compounds as examples for illustration. The electronic structure is computed using the WIEN2k code and the carrier relaxation times for electrons and holes are calculated using the Bardeen and Shockley’s deformation potential (DP) theory. The finite-temperature electronic transport is evaluated within the framework of Boltzmann transport theory. In sequence, the density functional perturbation combined with the quasi-harmonic approximation and the Klemens’ equation is implemented for calculating the lattice thermal conductivity of carrier-doped thermoelectric materials such as Ti-doped NbFeSb compounds without losing a generality. The calculated results show good agreement with experimental data. The present methodology represents an effective and powerful approach to calculate the whole set of thermoelectric properties for thermoelectric materials.

  12. Full-scale computation for all the thermoelectric property parameters of half-Heusler compounds.

    PubMed

    Hong, A J; Li, L; He, R; Gong, J J; Yan, Z B; Wang, K F; Liu, J-M; Ren, Z F

    2016-01-01

    The thermoelectric performance of materials relies substantially on the band structures that determine the electronic and phononic transports, while the transport behaviors compete and counter-act for the power factor PF and figure-of-merit ZT. These issues make a full-scale computation of the whole set of thermoelectric parameters particularly attractive, while a calculation scheme of the electronic and phononic contributions to thermal conductivity remains yet challenging. In this work, we present a full-scale computation scheme based on the first-principles calculations by choosing a set of doped half-Heusler compounds as examples for illustration. The electronic structure is computed using the WIEN2k code and the carrier relaxation times for electrons and holes are calculated using the Bardeen and Shockley's deformation potential (DP) theory. The finite-temperature electronic transport is evaluated within the framework of Boltzmann transport theory. In sequence, the density functional perturbation combined with the quasi-harmonic approximation and the Klemens' equation is implemented for calculating the lattice thermal conductivity of carrier-doped thermoelectric materials such as Ti-doped NbFeSb compounds without losing a generality. The calculated results show good agreement with experimental data. The present methodology represents an effective and powerful approach to calculate the whole set of thermoelectric properties for thermoelectric materials. PMID:26947395

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

    NASA Astrophysics Data System (ADS)

    Sedeek, K.; 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, Ti3Sb and CoTi2 (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 (Tc), in addition to a second possible phase transition (TFF) 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 (M2-H/M) confirm the ferromagnetic character at both temperatures. It may be reasonable to assume the TFF 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 not obey the 18 valence electron/unit cell

  14. Magneto-optical spectroscopy of Co{sub 2}FeSi Heusler compound

    SciTech Connect

    Veis, M. Beran, L.; Antos, R.; Legut, D.; Hamrle, J.; Pistora, J.; Sterwerf, Ch.; Meinert, M.; Schmalhorst, J.-M.; Kuschel, T.; Reiss, G.

    2014-05-07

    Magneto-optical and electronic properties of the Co{sub 2}FeSi Heusler compound were studied by polar Kerr magneto-optical spectroscopy and ab-initio calculations. The thin-film samples were grown by dc/rf magnetron co-sputtering on MgO(100) substrates. A Cr seed layer was deposited prior to the Co{sub 2}FeSi layer to achieve its epitaxial growth. The magneto-optical spectroscopy was carried out using generalized magneto-optical ellipsometry with rotating analyzer in the photon energy range from 1.4 to 5.5 eV with an applied magnetic field of up to 1.2 T. The polar Kerr spectra showed a smooth spectral behavior up to 5.5 eV indicating nearly free charge carriers. Experimental data were compared with ab-initio calculations based on density functional theory employing the full-potential linearized augmented plane wave method.

  15. Enhanced Thermoelectric Properties of La-Doped ZrNiSn Half-Heusler Compound

    NASA Astrophysics Data System (ADS)

    Akram, Rizwan; Zhang, Qiang; Yang, Dongwang; Zheng, Yun; Yan, Yonggao; Su, Xianli; Tang, Xinfeng

    2015-10-01

    The effect of La doping on ZrNiSn half-Heusler (HH) compound has been studied to explore the composition variation and structural modifications for improvement of its thermoelectric performance. A series of La x Zr1- x NiSn ( x = 0, 0.005, 0.01, 0.015, 0.02, 0.03) alloys were prepared by induction melting combined with plasma-activated sintering. Structural analysis using x-ray diffraction (XRD), scanning electron microscopy (SEM), and transmission electron microscopy (TEM) confirmed the resulting material to be a composite of HH, NiZr, and La3Sn4-type phases. The volume fraction for the phases other than HH ranged from 1.5% to 25% with increasing La content, as estimated by Rietveld analysis. The solubility of La in ZrNiSn is estimated to be 1.5%. Point defects may play a significant role in carrier and phonon transport. Interestingly, the thermoelectric transport properties exhibited a considerable increase in electrical conductivity σ with La doping and a significant drop in thermal conductivity κ, leading to a thermoelectric figure of merit ( ZT) of 0.53 at 923 K, representing an improvement of about 37% compared with the undoped sample.

  16. Theoretical investigations of electronic structure and magnetism in Zr2CoSn full-Heusler compound

    NASA Astrophysics Data System (ADS)

    Birsan, A.; Kuncser, V.

    2015-08-01

    The half-metallic properties of a new and promising full-Heusler compound, Zr2CoSn, are investigated by means of ab initio calculations within the Density Functional Theory framework. It was shown that the ferromagnetic ordered Hg2CuTi-type crystal structure is energetically the most favorable for this compound. The total magnetic moment is 3 μB/f.u. and follows a typical Slater-Pauling dependence. The half metallicity disappears if the unit cell volume is contracted by more than 5%.

  17. Anomalous Hall effect in the Co-based Heusler compounds Co2FeSi and Co2FeAI

    NASA Astrophysics Data System (ADS)

    Imort, I.-M.; Thomas, P.; Reiss, G.; Thomas, A.

    2012-04-01

    The anomalous Hall effect (AHE) in the Heusler compounds Co2FeSi and Co2FeAl is studied in dependence of the annealing temperature to achieve a general comprehension of its origin. We have demonstrated that the crystal quality affected by annealing processes is a significant control parameter to tune the electrical resistivity ρxx as well as the anomalous Hall resistivity ρahe. Analyzing the scaling behavior of ρahe in terms of ρxx points to a temperature-dependent skew scattering as the dominant mechanism in both Heusler compounds.

  18. Atomic origin of the spin-polarization of the Co2FeAl Heusler compound

    NASA Astrophysics Data System (ADS)

    Liang, Jaw-Yeu; Lam, Tu-Ngoc; Lin, Yan-Cheng; Chang, Shu-Jui; Lin, Hong-Ji; Tseng, Yuan-Chieh

    2016-02-01

    Using synchrotron x-ray techniques, we studied the Co2FeAl spin-polarization state that generates the half-metallicity of the compound during an A2 (low-spin)  →  B2 (high-spin) phase transition. Given the advantage of element specificity of x-ray techniques, we could fingerprint the structural and magnetic cross-reactions between Co and Fe within a complex Co2FeAl structure deposited on a MgO (0 0 1) substrate. X-ray diffraction and extended x-ray absorption fine structure investigations determined that the Co atoms preferably populate the (1/4,1/4,1/4) and (3/4,3/4,3/4) sites during the development of the B2 phase. X-ray magnetic spectroscopy showed that although the two magnetic elements were ferromagnetically coupled, they interacted in a competing manner via a charge-transfer effect, which enhanced Co spin polarization at the expense of Fe spin polarization during the phase transition. This means that the spin-polarization of Co2FeAl was electronically dominated by Fe in A2 whereas the charge transfer turned the dominance to Co upon B2 formation. Helicity-dependent x-ray absorption spectra also revealed that only the minority state of Co/Fe was involved in the charge-transfer effect whereas the majority state was independent of it. Despite an overall increase of Co2FeAl magnetization, the charge-transfer effect created an undesired trade-off during the Co-Fe exchange interactions, because of the presence of twice as many X sites (Co) as Y sites (Fe) in the Heusler X 2 YZ formula. This suggests that the spin-polarization of Co2FeAl is unfortunately regulated by compromising the enhanced X (Co) sites and the suppressed Y (Fe) sites, irrespective of the development of the previously known high-spin-polarization phase of B2. This finding provides a possible cause for the limited half-metallicity of Co2FeAl discovered recently. Electronic tuning between the X and Y sites is necessary to further increase the spin-polarization, and likely the half

  19. Enhanced thermoelectric performance by the combination of alloying and doping in TiCoSb-based half-Heusler compounds

    NASA Astrophysics Data System (ADS)

    Qiu, Pengfei; Huang, Xiangyang; Chen, Xihong; Chen, Lidong

    2009-11-01

    TiCoSb-based half-Heusler compounds have been prepared and their thermoelectric properties are studied. By isoelectronic alloying on the Ti site with Zr, although both the thermal conductivity and electrical conductivity are suppressed, the Seebeck coefficient is improved remarkably with a highest value of -420 μV/K for Ti0.5Zr0.5CoSb at 600 K, which provides a larger space to optimize the thermoelectric performance. To further improve the performance of the TiCoSb-based isoelectronic alloy, doping Ni on the Co site was explored. It is found that small amount of Ni doping results in a great increase in the electrical conductivity, still with a relative large Seebeck coefficient. Ti0.6Hf0.4Co0.87Ni0.13Sb sample exhibits a peak power factor of 23.4μW/cmK2, which is the highest value for n-type TiCoSb-based half-Heusler compounds reported so far. As a result, a maximum dimensionless figure of merit of 0.70 has been achieved at 900 K for Ti0.6Hf0.4Co0.87Ni0.13Sb.

  20. Spin transport and accumulation in n{sup +}-Si using Heusler compound Co{sub 2}FeSi/MgO tunnel contacts

    SciTech Connect

    Ishikawa, Mizue Sugiyama, Hideyuki; Inokuchi, Tomoaki; Saito, Yoshiaki; Hamaya, Kohei

    2015-08-31

    We investigate spin transport and accumulation in n{sup +}-Si using Heusler compound Co{sub 2}FeSi/MgO/Si on insulator (SOI) devices. The magnitudes of the non-local four- and three-terminal Hanle effect signals when using Heusler compound Co{sub 2}FeSi/MgO/SOI devices are larger than when using CoFe/MgO/SOI devices, whereas the preparation methods of MgO layers on SOI are exactly same in both devices. Different bias voltage dependencies on the magnitude of spin accumulation signals are also observed between these devices. Especially, Co{sub 2}FeSi/MgO/SOI devices show large spin accumulation signals compared with CoFe/MgO/SOI devices in the low bias voltage region less than ∼1000 mV in which the increase of the spin polarization is expected from the estimation of the density of states in Heusler compound Co{sub 2}FeSi and CoFe under spin extraction conditions. These results indicate that the species of ferromagnetic material definitely affects the magnitude and behavior of the spin signals. The use of highly polarized ferromagnets such as Heusler compounds would be important for improving the spin polarization and the magnitude of spin signals through Si channels.

  1. Symmetry of valence states of Heusler compounds explored by linear dichroism in hard-x-ray photoelectron spectroscopy.

    PubMed

    Ouardi, Siham; Fecher, Gerhard H; Kozina, Xeniya; Stryganyuk, Gregory; Balke, Benjamin; Felser, Claudia; Ikenaga, Eiji; Sugiyama, Takeharu; Kawamura, Naomi; Suzuki, Motohiro; Kobayashi, Keisuke

    2011-07-15

    This study reports on the linear dichroism in angular-resolved photoemission from the valence band of the Heusler compounds NiTi0.9Sc0.1Sn and NiMnSb. High-resolution photoelectron spectroscopy was performed with an excitation energy of hν = 7.938  keV. The linear polarization of the photons was changed using an in-vacuum diamond phase retarder. The valence band spectra exhibit the typical structure expected from first-principles calculations of the electronic structure of these compounds. Noticeable linear dichroism is found in the valence band of both materials, and this allows for a symmetry analysis of the contributing states. The differences in the spectra are found to be caused by symmetry-dependent angular asymmetry parameters, and these occur even in polycrystalline samples without preferential crystallographic orientation.

  2. Magnetic properties and Curie temperatures of disordered Heusler compounds: Co1 +xFe2 -xSi

    NASA Astrophysics Data System (ADS)

    Fischer, Julia Erika; Karel, Julie; Fabbrici, Simone; Adler, Peter; Ouardi, Siham; Fecher, Gerhard H.; Albertini, Franca; Felser, Claudia

    2016-07-01

    The local atomic environments and magnetic properties were investigated for a series of Co1 +xFe2 -xSi (0 ≤x ≤1 ) Heusler compounds. While the total magnetic moment in these compounds increases with the number of valance electrons, the highest Curie temperature (TC) in this series was found for Co1.5Fe1.5Si , with a TC of 1069 K (24 K higher than the well-known Co2FeSi ). 57Fe Mössbauer spectroscopy was used to characterize the local atomic order and to estimate the Co and Fe magnetic moments. Consideration of the local magnetic moments and the exchange integrals is necessary to understand the trend in TC.

  3. High-Tc ferromagnetic semiconductor-like behavior and unusual electrical properties in compounds with a 2×2×2 superstructure of the half-Heusler phase.

    PubMed

    Xiong, Ding-Bang; Okamoto, Norihiko L; Waki, Takeshi; Zhao, Yufeng; Kishida, Kyosuke; Inui, Haruyuki

    2012-02-27

    Heusler phases, including the full- and half-Heusler families, represent an outstanding class of multifunctional materials on account of their great tunability in compositions, valence electron counts (VEC), and properties. Here we demonstrate a systematic design of a series of new compounds with a 2×2×2 superstructure of the half-Heusler unit cell in X-Y-Z (X=Fe, Ru, Co, Rh, Ir; Y=Zn, Mn; Z=Sn, Sb) systems. Their structures were solved by using both powder and single-crystal X-ray diffraction, and also directly observed by using high-angle annular dark-field imaging in a scanning transmission electron microscope (HAADF-STEM). The VEC values of these new compounds span a wide and continuous range comparable to those for the full- and half-Heusler families, thereby implying tunability in compositions and physical properties in the superstructure. In fact, we observed abnormal electrical properties and a ferromagnetic semiconductor-like behavior with a high and tunable Curie temperature in these superstructures.

  4. Half-metallic ferromagnetism with unexpectedly small spin splitting in the Heusler compound Co2FeSi.

    PubMed

    Bombor, Dirk; Blum, Christian G F; Volkonskiy, Oleg; Rodan, Steven; Wurmehl, Sabine; Hess, Christian; Büchner, Bernd

    2013-02-01

    Half-metallic ferromagnetism stands for the technologically sought-after metallicity with 100% spin polarization. Electrical transport should, in principle, sensitively probe half-metallic ferromagnetism, since electron-magnon scattering processes are expected to be absent, with clear-cut consequences for the resistivity and the magnetoresistance. Here we present electrical transport data for single-crystalline Co(2)FeSi, a candidate half-metallic ferromagnet Heusler compound. The data reveal a textbooklike exponential suppression of the electron-magnon scattering rate with decreasing temperature which provides strong evidence that this material indeed possesses perfect spin polarization at low temperature. However, the energy scale for thermally activated spin-flip scattering is relatively low (activation gap Δ≈100 K) which has decisive influence on the magnetoresistance and the anomalous Hall effect, which exhibit strong qualitative changes when crossing T≈100 K.

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

    NASA Astrophysics Data System (ADS)

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

    2016-10-01

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

  6. Structure, exchange stiffness, and magnetic anisotropy of Co2MnAlxSi1-x Heusler compounds

    NASA Astrophysics Data System (ADS)

    Kubota, Takahide; Hamrle, Jaroslav; Sakuraba, Yuya; Gaier, Oksana; Oogane, Mikihiko; Sakuma, Akimasa; Hillebrands, Burkard; Takanashi, Koki; Ando, Yasuo

    2009-12-01

    We have investigated the exchange constant A (exchange stiffness D) and the magnetic anisotropy of Co2MnAlxSi1-x (CMAS) Heusler compounds as a function of the film composition. In case of Co2MnSi, A was found to be 23.5 pJ/m (D =5.86 meV nm2). Furthermore, A decreased with an increase in the Al content x. In the case of Co2MnAl, it was found to be 4.8 pJ/m (D =1.90 meV nm2). Finally, the cubic anisotropy constant K1 of CMAS films was found to be small (below 10 kJ/m3) and did not exhibit simple dependence on x.

  7. Structural, elastic, electronic, magnetic and optical properties of RbSrX(C, SI, Ge) half-Heusler compounds

    NASA Astrophysics Data System (ADS)

    Ahmad, Mukhtar; Naeemullah; Murtaza, G.; Khenata, R.; Bin Omran, S.; Bouhemadou, A.

    2015-03-01

    In this study we present investigations pertaining to structural, elastic, electronic, magnetic and optical properties of RbSrC, RbSrSi and RbSrGe half-Heusler compounds. To carry out this study, full potential (FP) linearized augmented plane wave (LAPW), a scheme of calculations developed within the framework of density functional theory (DFT), is employed. To incorporate the exchange correlation (XC) energy and corresponding potential into the total energy calculations, generalized gradient approximation (GGA) parameterized by Wu-Cohen is taken into account. Analysis of band structures and densities of states (DOS) profiles illustrate the conducting nature in spin down state and the semiconducting nature in spin-up state. The bonding nature discussed via electron charge density plot reveals strong ionic bonding character of these compounds. At ambient conditions, calculations for elastic constants (Cij) and their related elastic moduli are also performed which point to their brittle character. The compounds are found to be ferromagnetic with 1 μB. The magnetic moment decreases from its integer value at high pressures for these compounds.

  8. Phonon anomalies and superconductivity in the Heusler compound YPd₂Sn

    SciTech Connect

    Tütüncü, H. M.; Srivastava, G. P.

    2014-07-07

    We have studied the structural and electronic properties of YPd₂Sn in the Heusler structure using a generalized gradient approximation of the density functional theory and the ab initio pseudopotential method. The electronic results indicate that the density of states at the Fermi level is primarily derived from Pd d states, which hybridize with Y d and Sn p states. Using our structural and electronic results, phonons and electron-phonon interactions have been studied by employing a linear response approach based on the density functional theory. Phonon anomalies have been observed for transverse acoustic branches along the [110] direction. This anomalous dispersion is merely a consequence of the strong coupling. By integrating the Eliashberg spectral function, the average electron-phonon coupling parameter is found to be λ=0.99. Using this value, the superconducting critical temperature is calculated to be 4.12 K, in good accordance with the recent experimental value of 4.7 K.

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

    PubMed

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

    2016-01-18

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

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

    NASA Astrophysics Data System (ADS)

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

    2016-01-01

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

  11. High TC half-metallic fully-compensated ferrimagnetic Heusler compounds

    NASA Astrophysics Data System (ADS)

    Galanakis, I.; Şaşıoǧlu, E.

    2011-08-01

    Extensive ab-initio electronic structure calculations on Heusler alloys suggest that Cr2CoGa is the alloy of choice to achieve the half-metallic fully-compensated ferrimagnetism since (1) it has been already grown experimentally [T. Graf et al., Z. Anorg. Allg. Chem. 635, 976 (2009)], (2) half-metallic XA structure is favored energetically over all the studied lattice constant range with respect to the L21 which is not half-metallic, (3) the half-metallic gap is wide and the Fermi level falls at the middle of the gap and thus, it presents high degree of spin-polarization for a wide range of lattice constants, and (4) the Curie temperature is extremely high reaching the 1520 K.

  12. Half-metallic magnetism of Co 2CrX (X=As, Sb) Heusler compounds: An ab initio study

    NASA Astrophysics Data System (ADS)

    Kanbur, Ulvi; Gökoğlu, Gökhan

    2011-05-01

    In this study, we present the electronic, magnetic, and structural properties of two novel half-metallic full-Heusler compounds, Co 2CrAs and Co 2CrSb, in cubic L2 1 geometry. The calculations are based on the density functional theory within plane-wave pseudopotential method and spin-polarized generalized gradient approximation of the exchange-correlation functional. The electronic band structures and density of states of the systems indicate half-metallic behavior with vanishing electronic density of states of minority spins at Fermi level, which yields perfect spin polarization. The calculated magnetic moments of both systems in L2 1 structure are 5.00 μB, which are largely localized on the chromium site. The energy gaps in minority spin states are restricted by the 3d-states of cobalt atoms on two different sublattices. The formation enthalpies for both structures are negative indicating stability of these systems against decomposition into stable solid compounds.

  13. Ab initio prediction of ferrimagnetism, exchange interactions and Curie temperatures in Mn₂TiZ Heusler compounds.

    PubMed

    Meinert, M; Schmalhorst, J-M; Reiss, G

    2011-01-26

    The Heusler compounds Mn(2)TiZ (Z = Al, Ga, In, Si, Ge, Sn, P, As, Sb) are of great interest due to their potential ferrimagnetic properties and high spin polarization. Here, we present calculations of the structural and magnetic properties of these materials. Their magnetic moment follows the Slater-Pauling rule m = N(V) - 24. None of them is actually a perfect half-metallic ferrimagnet, but some exhibit more than 90% spin polarization and Curie temperatures well above room temperature. The exchange interactions are complex; direct and indirect exchange contributions are identified. The Curie temperature scales with the total magnetic moment, and it has a positive pressure dependence. The role of the Z element is investigated: it influences the properties of the compounds mainly via its valence electron number and its atomic radius, which determines the lattice parameter. Based on these results, Mn(2)TiSi, Mn(2)TiGe, and Mn(2)TiSn are proposed as candidates for spintronic applications.

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

    PubMed Central

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

    2016-01-01

    Although high-tunnelling spin polarization has been observed in soft, ferromagnetic, and predicted for hard, ferrimagnetic Heusler materials, there has been no experimental observation to date of high-tunnelling magnetoresistance in the latter. Here we report the preparation of highly textured, polycrystalline Mn3Ge films on amorphous substrates, with very high magnetic anisotropy fields exceeding 7 T, making them technologically relevant. However, the small and negative tunnelling magnetoresistance that we find is attributed to predominant tunnelling from the lower moment Mn–Ge termination layers that are oppositely magnetized to the higher moment Mn–Mn layers. The net spin polarization of the current reflects the different proportions of the two distinct termination layers and their associated tunnelling matrix elements that result from inevitable atomic scale roughness. We show that by engineering the spin polarization of the two termination layers to be of the same sign, even though these layers are oppositely magnetized, high-tunnelling magnetoresistance is possible. PMID:26776829

  15. Structure and magnetic properties of tetragonal Heusler D022-Mn3Ge compound epitaxial films with high perpendicular magnetic anisotropy

    NASA Astrophysics Data System (ADS)

    Sugihara, A.; Suzuki, K.; Mizukami, S.; Miyazaki, T.

    2015-04-01

    We investigated the structure and magnetic properties of epitaxial films of D022-Mn3Ge tetragonal Heusler like compounds in detail. Epitaxial films with a stoichiometric composition were grown on Cr-buffered single crystalline (0 0 1) MgO substrates using ultra-high vacuum sputtering at different growth temperatures. X-ray diffraction showed that D022-ordered films were formed at growth temperatures of ⩾200 °C. Epitaxial growth was indicated by cross-sectional high-resolution transmission electron microscopy. Nanobeam diffraction patterns from the D022-Mn3Ge film grown at 400 °C suggests the absence of planar defects such as stacking faults and twins in the film. Out-of-plane magnetic hysteresis curves with perfect squareness were observed for the films grown at ⩾300 °C. These films also showed abrupt magnetization reversal at a coercivity of about 1 T, which is higher than that of other thin film materials with perpendicular magnetic anisotropy such as CoPt and FePt. A huge domain diameter in the D022-Mn3Ge films was indicated by the initial magnetization curves that were measured by the polar magneto-optical Kerr effect.

  16. First principle study of structural, electronic and magnetic properties of half-Heusler IrCrZ (Z=Ge, As, sn and sb) compounds

    NASA Astrophysics Data System (ADS)

    Allaf Behbahani, Marzieh; Moradi, Mahmood; Rostami, Mohammad; Davatolhagh, Saeed

    2016-05-01

    First-principle calculations based on the density functional theory for new half-Heusler IrCrZ (Z=Ge, As, Sn and Sb) alloys are performed. It is found that the half-Heusler IrCrGe and IrCrSn compounds have an antiferromagnetic ground state while the ferromagnetic state is more stable than the antiferromagnetic and non-magnetic states for both IrCrAs and IrCrSb compounds. IrCrAs and IrCrSb exhibit half-metallic property with integer magnetic moments of 2.00 μB per formula unit and half-metallic gaps of 0.28 and 0.27 eV at their equilibrium volume, respectively. In addition, the density of states (DOSs) and band structures of IrCrAs and IrCrSb compounds are studied and the origin of their half-metallic gaps are discussed in detail. The estimation of Curie temperatures of IrCrAs and IrCrSb compounds is performed within the mean field approximation (MFA). The Curie temperatures of IrCrAs and IrCrSb are estimated to be 1083 and 1470 K, respectively. The stability of the half-metallicity in IrCrAs and IrCrSb compounds with the variation of lattice constant are also investigated.

  17. Ground state properties and thermoelectric behavior of Ru2VZ (Z=Si, ge, sn) half-metallic ferromagnetic full-Heusler compounds

    NASA Astrophysics Data System (ADS)

    Yalcin, Battal Gazi

    2016-06-01

    The ground state properties namely structural, mechanical, electronic and magnetic properties and thermoelectric behavior of Ru2VZ (Z=Si, Ge and Sn) half-metallic ferromagnetic full-Heusler compounds are systematically investigated. These compounds are ferromagnetic and crystallize in the Heusler type L21 structure (prototype: Cu2MnAl, Fm-3m 225). This result is confirmed for Ru2VSi and Ru2VSn 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 Ru2VSi, Ru2VGe, and Ru2VSn, respectively. The total spin magnetic moment (Mtot) of the considered compounds satisfies a Slater-Pauling type rule for localized magnetic moment systems (Mtot=(NV-24)μB), where NV=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 Ru2VSi, Ru2VGe and Ru2VSn, 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). ZTMAX values of 0.016 (350 K), 0.033 (380 K) and 0.063 (315 K) are achieved for Ru2VSi, Ru2VGe and Ru2VSn, respectively. It is expected that the obtained results might be a trigger in future experimentally interest in this type of full-Heusler compounds.

  18. Spin-Resolved Fermi Surface of the Localized Ferromagnetic Heusler Compound Cu₂MnAl Measured with Spin-Polarized Positron Annihilation.

    PubMed

    Weber, Josef A; Bauer, Andreas; Böni, Peter; Ceeh, Hubert; Dugdale, Stephen B; Ernsting, David; Kreuzpaintner, Wolfgang; Leitner, Michael; Pfleiderer, Christian; Hugenschmidt, Christoph

    2015-11-13

    We determined the bulk electronic structure of the prototypical Heusler compound Cu(2)MnAl by measuring the angular correlation of annihilation radiation using spin-polarized positrons. To this end, a new algorithm for reconstructing 3D densities from projections is introduced that allows us to corroborate the excellent agreement between our electronic structure calculations and the experimental data. The contribution of each individual Fermi surface sheet to the magnetization was identified, and summed to a total spin magnetic moment of 3.6±0.5 μ(B)/f.u..

  19. Moderate-temperature thermoelectric properties of TiCoSb-based half-Heusler compounds Ti1-xTaxCoSb

    NASA Astrophysics Data System (ADS)

    Zhou, Min; Chen, Lidong; Feng, Chude; Wang, Dongli; Li, Jing-Feng

    2007-06-01

    Ta-doped Ti1-xTaxCoSb (0⩽x⩽0.08) half-Heusler compounds were synthesized by melting and annealing process. Their thermoelectric properties were studied in the temperature range of 300-900K. The Ti1-xTaxCoSb compounds exhibit negative Seebeck coefficients with considerably large absolute values. With increasing Ta substitution, the electrical conductivity was greatly increased, but the thermal conductivity was reduced. Because of the combined effects of increased electrical conductivity and reduced thermal conductivity, the thermoelectric performance of Ti1-xTaxCoSb alloys was apparently improved by doping Ta. The dimensionless figure of merit of 0.3 was obtained for Ti0.92Ta0.08CoSb compound at 900K. This value is about ten times larger than that of the undoped TiCoSb compound.

  20. Electronic and magnetic properties of X2YZ and XYZ Heusler compounds: a comparative study of density functional theory with different exchange-correlation potentials

    NASA Astrophysics Data System (ADS)

    Rai, D. P.; Sandeep; Shankar, A.; Pradhan Sakhya, Anup; Sinha, T. P.; Khenata, R.; Ghimire, M. P.; Thapa, R. K.

    2016-07-01

    The electronic and magnetic properties of Heusler compounds X2YZ and XYZ (X = Co, Ni, Pt, Fe; Y = Mn, Cr, Vi; Z = Al, Sb, Ga) are investigated by using the density functional theory with generalized gradient approximation (GGA), GGA plus U (LSDA+U), and modified Becke-Johnson (mBJ) exchange potential. It is found that the half-metallic gaps are generally widened reasonably by LSDA+U and mBJ as compared to the conventional GGA. For the Co-based Heusler compounds the inclusion of U in GGA leads to a larger minority band gap while it is destroyed for Fe2VAl and NiMnSb. The magnetic properties of Co2VSi and Co2VSn are well defined within LSDA+U and mBJ with an exact integer value of magnetic moment. The band gaps of Fe2VAl and CoMnSb given by mBJ are in good agreement with the available experimental data of x-ray absorption spectroscopy. Except for the reasonably larger band gap, the mBJ band structure is almost same as that of GGA but is remarkably different from that of LSDA+U.

  1. Electronic and magnetic properties of X2YZ and XYZ Heusler compounds: a comparative study of density functional theory with different exchange-correlation potentials

    NASA Astrophysics Data System (ADS)

    Rai, D. P.; Sandeep; Shankar, A.; Pradhan Sakhya, Anup; Sinha, T. P.; Khenata, R.; Ghimire, M. P.; Thapa, R. K.

    2016-07-01

    The electronic and magnetic properties of Heusler compounds X2YZ and XYZ (X = Co, Ni, Pt, Fe; Y = Mn, Cr, Vi; Z = Al, Sb, Ga) are investigated by using the density functional theory with generalized gradient approximation (GGA), GGA plus U (LSDA+U), and modified Becke‑Johnson (mBJ) exchange potential. It is found that the half-metallic gaps are generally widened reasonably by LSDA+U and mBJ as compared to the conventional GGA. For the Co-based Heusler compounds the inclusion of U in GGA leads to a larger minority band gap while it is destroyed for Fe2VAl and NiMnSb. The magnetic properties of Co2VSi and Co2VSn are well defined within LSDA+U and mBJ with an exact integer value of magnetic moment. The band gaps of Fe2VAl and CoMnSb given by mBJ are in good agreement with the available experimental data of x-ray absorption spectroscopy. Except for the reasonably larger band gap, the mBJ band structure is almost same as that of GGA but is remarkably different from that of LSDA+U.

  2. 59Co nuclear magnetic resonance study of the local distribution of atoms in the Heusler compound Co2FeAl0.5Si0.5

    NASA Astrophysics Data System (ADS)

    Wurmehl, Sabine; Kohlhepp, Jürgen T.; Swagten, Henk J. M.; Koopmans, Bert

    2012-02-01

    In this work, the spin-echo nuclear magnetic resonance (NMR) technique is used to probe the local structure of Co2FeAl0.5Si0.5 bulk samples. The 59Co NMR spectrum of the Heusler compound Co2FeAl0.5Si0.5 consists of four main resonance lines with an underlying sub-structure. The splitting into the main resonance lines is explained by contributions of the B2 type structure. The sub-lines are attributed to a random distribution of Al and Si. By comparing the experimental results with an appropriate multinomial distribution, the fraction of the Al/Si intermixing and the ratio between the contributing structure types is assigned. The main structural contribution of as-cast bulk samples is of B2 type with 38% of L21 contributions. The L21 contribution can be enhanced to 59% by an appropriate annealing process. However, B2 contributions are still present after annealing. Additional foreign phases such as fcc-Co and Co-Al, with relative contributions of less than one percent, are also found in both as-cast and annealed samples. Resonance lines related to slight amounts of the ternary, parental Heusler compounds Co2FeAl and Co2FeSi are also observed.

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

    SciTech Connect

    Pedro, S. S. Caraballo Vivas, R. J.; Andrade, V. M.; Cruz, C.; Paixão, L. S.; Contreras, C.; Costa-Soares, T.; Rocco, D. L.; Reis, M. S.; Caldeira, L.; Coelho, A. A.; Carvalho, A. Magnus G.

    2015-01-07

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

  4. Half-metallic ferromagnetism in full-Heusler compounds ACaX{sub 2} (A = K and Rb; X = N and O)

    SciTech Connect

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

    2014-04-24

    Electronic structure and magnetic properties of hypothetical ACaX{sub 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{sub μB} and 1{sub μB} respectively.

  5. First-principles study of the structural stability of cubic, tetragonal and hexagonal phases in Mn3Z (Z=Ga, Sn and Ge) Heusler compounds

    NASA Astrophysics Data System (ADS)

    Zhang, Delin; Yan, Binghai; Wu, Shu-Chun; Kübler, Jürgen; Kreiner, Guido; Parkin, Stuart S. P.; Felser, Claudia

    2013-05-01

    We investigate the structural stability and magnetic properties of the cubic, tetragonal and hexagonal phases of Mn3Z (Z=Ga, Sn and Ge) Heusler compounds using first-principles density-functional theory. We propose that the cubic phase plays an important role as an intermediate state in the phase transition from the hexagonal to the tetragonal phases. Consequently, Mn3Ga and Mn3Ge behave differently from Mn3Sn, because the relative energies of the cubic and hexagonal phases are different. This result agrees with experimental observations for these three compounds. The weak ferromagnetism of the hexagonal phase and the perpendicular magnetocrystalline anisotropy of the tetragonal phase obtained in our calculations are also consistent with experiment.

  6. First-principles study of the structural stability of cubic, tetragonal and hexagonal phases in Mn₃Z (Z=Ga, Sn and Ge) Heusler compounds.

    PubMed

    Zhang, Delin; Yan, Binghai; Wu, Shu-Chun; Kübler, Jürgen; Kreiner, Guido; Parkin, Stuart S P; Felser, Claudia

    2013-05-22

    We investigate the structural stability and magnetic properties of the cubic, tetragonal and hexagonal phases of Mn3Z (Z=Ga, Sn and Ge) Heusler compounds using first-principles density-functional theory. We propose that the cubic phase plays an important role as an intermediate state in the phase transition from the hexagonal to the tetragonal phases. Consequently, Mn3Ga and Mn3Ge behave differently from Mn3Sn, because the relative energies of the cubic and hexagonal phases are different. This result agrees with experimental observations for these three compounds. The weak ferromagnetism of the hexagonal phase and the perpendicular magnetocrystalline anisotropy of the tetragonal phase obtained in our calculations are also consistent with experiment.

  7. First-Principles Calculation of structural, electronic and magnetic properties of half-Heusler LiCaC and NaCaC compounds

    NASA Astrophysics Data System (ADS)

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

    2014-09-01

    The structural, electronic and magnetic properties of LiCaC and NaCaC compounds in half-Heusler structure have been studied using local density approximation (LDA) based on density functional theory (DFT). From the total energy calculation, it is found that the compounds LiCaC and NaCaC are stable in ferromagnetic phase. The spin-polarized electronic band structure and density of states of these compounds show that the minority spin channel has metallic nature and the majority spin channel has a semiconducting gap of 2.27 and 2.0 eV for LiCaC and NaCaC respectively, resulting in a stable half-metallic ferromagnetic (HMF) behavior with magnetic moment of 1 μB per formula unit. Analysis of density of states of these compounds indicates that the magnetic moment mainly originates from the strong spin-polarization of 2p like states of C and the hybridization between the C-2p like states and the Ca-3d like states. The robustness of half-metallicity against the lattice constant is also calculated. Presence of HMF in LiCaC and NaCaC compounds without any transition metal makes these compounds promising materials for spintronic applications.

  8. The role of 3d electrons in the appearance of ferromagnetism in the antiferromagnetic Ru2MnGe Heusler compound: a magnetic Compton scattering study.

    PubMed

    Mizusaki, S; Ohnishi, T; Douzono, A; Hirose, M; Nagata, Y; Itou, M; Sakurai, Y; Ozawa, T C; Samata, H; Noro, Y

    2012-06-27

    The antiferromagnetism in Ru(2)MnGe can be suppressed by the substitution of V by Mn and ferromagnetism appears. Synchrotron-based magnetic Compton scattering experiments are used in order to investigates the role of 3d electrons in the indirect/direct exchange interactions for the appearance of ferromagnetism. A small spin moment for the itinerant electron part on the magnetic Compton profile indicates that the metallic ferromagnet Ru(2)Mn(0.5)V(0.5)Ge has a weak indirect exchange interaction between the d-like and sp-like (itinerant) electrons. This suggests that the appearance of ferromagnetism is caused by the enhancement of the direct exchange interactions between d-d electrons in the Ru(2)MnGe Heusler compound. These findings indicate that the indirect exchange interaction between itinerant electrons and localized electrons is a significant key point for the appearance of ferromagnetism in this system.

  9. Exchange-spring like magnetic behavior of the tetragonal Heusler compound Mn2FeGa as a candidate for spin-transfer torque

    NASA Astrophysics Data System (ADS)

    Gasi, Teuta; Nayak, Ajaya K.; Winterlik, Jürgen; Ksenofontov, Vadim; Adler, Peter; Nicklas, Michael; Felser, Claudia

    2013-05-01

    We report structural, magnetic, and Mössbauer studies of the Heusler compound Mn2FeGa. Theoretical calculations predict that a tetragonal phase in Mn2FeGa could be an interesting candidate for spin torque transfer applications due to the presence of perpendicular magnetic anisotropy. Experimentally, we found that Mn2FeGa crystallizes in a tetragonal structure after annealing at low temperatures (≤400 °C), whereas, it becomes pseudocubic for higher annealing temperatures. The sample annealed at 400 °C shows a high Curie temperature of 650 K and a hard-magnetic behavior. We observed a nonsaturating and exchange-spring type of hysteresis loops, which indicates that the sample contains two different magnetic states. The Mössbauer measurements clearly support the structural and magnetic data. All these properties make the material a potential candidate for spintronic devices, especially in thin films with perpendicular magnetic anisotropy.

  10. Structural, electronic, elastic, thermoelectric and thermodynamic properties of the NbMSb half heusler (M=Fe, Ru, Os) compounds with first principle calculations

    NASA Astrophysics Data System (ADS)

    Abid, O. Miloud; Menouer, S.; Yakoubi, A.; Khachai, H.; Omran, S. Bin; Murtaza, G.; Prakash, Deo; Khenata, R.; Verma, K. D.

    2016-05-01

    The structural, electronic, elastic, thermoelectric and thermodynamic properties of NbMSb (M = Fe, Ru, Os) half heusler compounds are reported. The full-potential linearized augmented plane wave (FP-LAPW) plus local orbital (lo) method, based on the density functional theory (DFT) was employed for the present study. The equilibrium lattice parameter results are in good compliance with the available experimental measurements. The electronic band structure and Boltzmann transport calculations indicated a narrow indirect energy band gap for the compound having electronic structure favorable for thermoelectric performance as well as with substantial thermopowers at temperature ranges from 300 K to 800 K. Furthermore, good potential for thermoelectric performance (thermopower S ≥ 500 μeV) was found at higher temperature. In addition, the analysis of the charge density, partial and total densities of states (DOS) of three compounds demonstrate their semiconducting, ionic and covalent characters. Conversely, the calculated values of the Poisson's ratio and the B/G ratio indicate their ductile makeup. The thermal properties of the compounds were calculated by quasi-harmonic Debye model as implemented in the GIBBS code.

  11. Quantitative analysis of anisotropic magnetoresistance in Co{sub 2}MnZ and Co{sub 2}FeZ epitaxial thin films: A facile way to investigate spin-polarization in half-metallic Heusler compounds

    SciTech Connect

    Sakuraba, Y. Hirayama, Y.; Furubayashi, T.; Sukegawa, H.; Li, S.; Takahashi, Y. K.; Hono, K.; Kokado, S.

    2014-04-28

    Anisotropic magnetoresistance (AMR) effect has been systematically investigated in various Heusler compounds Co{sub 2}MnZ and Co{sub 2}FeZ (Z = Al, Si, Ge, and Ga) epitaxial films and quantitatively summarized against the total valence electron number N{sub V}. It was found that the sign of AMR ratio is negative when N{sub V} is between 28.2 and 30.3, and turns positive when N{sub V} becomes below 28.2 and above 30.3, indicating that the Fermi level (E{sub F}) overlaps with the valence or conduction band edges of half-metallic gap at N{sub V} ∼ 28.2 or 30.3, respectively. We also find out that the magnitude of negative AMR ratio gradually increases with shifting of E{sub F} away from the gap edges, and there is a clear positive correlation between the magnitude of negative AMR ratio and magnetoresistive output of the giant magnetoresistive devices using the Heusler compounds. This indicates that AMR can be used as a facile way to optimize a composition of half-metallic Heusler compounds having a high spin-polarization at room temperature.

  12. First Principles Investigation of the Elastic, Optoelectronic and Thermal Properties of XRuSb: (X = V, Nb, Ta) Semi-Heusler Compounds Using the mBJ Exchange Potential

    NASA Astrophysics Data System (ADS)

    Bencherif, K.; Yakoubi, A.; Della, N.; Miloud Abid, O.; Khachai, H.; Ahmed, R.; Khenata, R.; Bin Omran, S.; Gupta, S. K.; Murtaza, G.

    2016-07-01

    Semi-Heusler materials are intensively investigated due to their potential use in diverse applications, such as in spintronics and green energy applications. In this work, we employ the density functional theory to calculate the structural, electronic, elastic, thermal and optical properties of the VRuSb, NbRuSb and TaRuSb semi-Heusler compounds. The calculated results for the lattice constants, bulk moduli and their corresponding pressure derivative values are in fairly good agreement with previous works. In addition, besides the local density approximation, the modified Becke-Johnson exchange potential is also used to improve the value of the band gaps. The bonding nature reveals a mixture of covalent and ionic bonding character of the VRuSb, NbRuSb and TaRuSb compounds. Furthermore, the elastic constants ( C ij) and the related elastic moduli confirm their stability in the cubic phase and demonstrate their ductile nature. We also analyze the influence of the pressure and temperature on the primitive cell volume, heat capacity, volume expansion coefficient, and Debye temperature of the semi-Heusler compounds. Additionally, we investigate the optical properties, such as the complex dielectric function, refractive index, reflectivity, and the energy loss function.

  13. Quaternary Heusler compounds Co(2-x)Rh(x)MnZ (Z = Ga, Sn, Sb): crystal structure, electronic structure, and magnetic properties.

    PubMed

    Alijani, Vajiheh; Winterlik, Juergen; Fecher, Gerhard H; Naghavi, S Shahab; Chadov, Stanislav; Gruhn, Thomas; Felser, Claudia

    2012-02-01

    Within the huge family of Heusler compounds only a few quaternary derivatives are known that crystallize in the F43m space group. In this work, the yet unreported compounds CoRhMnZ (Z = Ga, Sn, Sb) and the alloy Co(0.5)Rh(1.5)MnSb were investigated in detail by experimental techniques and theoretical methods. The ab initio calculations predict the CoRhMnZ compounds to be half-metallic ferromagnets or to be close to the half-metallic ferromagnetic state. Calculations of the elastic constants show that the cubic structure is stable in compounds containing Mn. Both calculations and experiment reveal that Mn cannot be exchanged by Fe (CoRhFeGa). The low temperature magnetization of the compounds is in the range of 3.4-5.5 μ(B) depending on the composition. The best agreement between experiment and calculation has been achieved for CoRhMnSn (5 μ(B)). The other compounds are also cubic but tend to anti-site disorder. Compared to Co(2)MnSn it is interesting to note that the magnetic properties and half-metallicity are preserved when replacing one of the 'magnetic' Co atoms by a 'non-magnetic' Rh atom. This allows us to increase the spin-orbit interaction at one of the lattice sites while keeping the properties as a precondition for applications and physical effects relying on a large spin-orbit interaction. The Curie temperatures were determined from measurements in induction fields of up to 1 T by applying molecular field fits respecting the applied field. The highest Curie temperature was found for CoRhMnSn (620 K) that makes it, together with the other well defined properties, attractive for above room temperature spintronic applications.

  14. Thermoelectric properties of p-type Fe-doped TiCoSb half-Heusler compounds

    NASA Astrophysics Data System (ADS)

    Wu, Ting; Jiang, Wan; Li, Xiaoya; Zhou, Yanfei; Chen, Lidong

    2007-11-01

    TiFexCo1-xSb half-Heusler materials with randomly distributed TiO2 particles have been synthesized by arc melting and annealing. Thermoelectric properties were measured in the temperature range of ˜300-850 K. TiCoSb shows n-type conduction, while TiFexCo1-xSb transfers to p-type conduction when x ≥0.01. The electrical conductivity of p-type TiFexCo1-xSb increased with increasing Fe content. The maximum Seebeck coefficient reached about 300 μV/K at 850 K for x =0.15. Since Fe powder contained a trace of Fe2O3, a small amount of TiO2 particles formed during the synthesis process. The lattice thermal conductivity dramatically decreased with increasing Fe content, which was mostly caused by the introduction of in situ formed TiO2 particles, as well as the effects of mass fluctuation and strain field fluctuation due to the substitution of Fe to the Co site. The dimensionless figure of merit (ZT =S2σT/κ) was significantly improved over the whole temperature region, and a maximum ZT value of 0.45 has been obtained for the composition of TiFe0.15Co0.85Sb at 850 K.

  15. Engineering half-Heusler thermoelectric materials using Zintl chemistry

    NASA Astrophysics Data System (ADS)

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

    2016-06-01

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

  16. Disorder-induced localization and itinerant magnetism in the Half-Heusler alloys and dilution studies of the beta-titanium tin and barium boride compounds

    NASA Astrophysics Data System (ADS)

    Drymiotis, Fivos

    We present experimental results of magnetization, resistance and specific heat, on single crystals of several Half Heusler alloys. In particular we focus on the 18 valence electrons TiCoSb and TiNiSn and their evolution from their non magnetic ground state to the metallic TiFeSb, VCoSb and TiCoSn. Contrary to previous experimental results we find the ground state of TiCoSb to be metallic but driven to semiconducting through disorder induced localization. In all samples studied we find that the semiconductor to metal transition occurs concurrently with a lattice parameter change. Ferromagnetic ordering appears to occur only if the Stoner criterion is satisfied and long range ordering occurs even in the presence of localizes states. The transport behavior of all samples depends on the dimensional ratio WB corresponding to the ratio of the extent of localization to the bandwidth. Experimental results are also presented on the beta-Ti 6Sn5 compound which according to magnetization and specific heat measurements is very close to ferromagnetic instability. Ferromagnetic ordering occurs after minute amounts of doping with certain elements (La, Ce, Pr, Sm, Co) on the Ti site. Large values of the critical temperatures are observed which do not scale with the dopant dilution concentration. Experimental evidence is also presented on the existence of a ferromagnetic ground state for BaB6 and La doped BaB6.

  17. The preparation and thermoelectric properties of Ti0.5Zr0.25Hf0.25Co1-xNixSb half-Heusler compounds

    NASA Astrophysics Data System (ADS)

    Xie, Wenjie; Jin, Qiao; Tang, Xinfeng

    2008-02-01

    Ni doping Ti0.5Zr0.25Hf0.25Co1-xNixSb (x=0-0.05) half-Heusler compounds have been fabricated by combining high-frequency induction melting with spark plasma sintering technique, and their thermoelectric transport properties have been investigated in the temperature range of 300-900K. With the increase of Ni doping content, the electrical conductivity increases significantly, and withal the Seebeck coefficient of all doped samples improve to some extent compared with the undoped Ti0.5Zr0.25Hf0.25CoSb compound. These lead to a great improvement in the power factor, and the highest power factor of 1.63×10-3Wm-1K-1 is obtained at 715K for Ti0.5Zr0.25Hf0.25Co0.95Ni0.05Sb compound. Furthermore, thermal conductivity of Ti0.5Zr0.25Hf0.25Co1-xNixSb compounds decrease remarkably due to Zr and Hf substitutions on Ti site and Ni doping on Co site. Compared with ternary TiCoSb compound, the thermal conductivity of Ti0.5Zr0.25Hf0.25Co1-xNixSb compound decreases 415%-430% at room temperature, and compared with undoped Ti0.5Zr0.25Hf0.25CoSb compound, the thermal conductivity of Ti0.5Zr0.25Hf0.25Co0.95Ni0.05Sb decreases 34% at 300K and 21% at 900K, respectively. A maximum dimensionless figure of merit ZT of 0.51 has been achieved for Ti0.5Zr0.25Hf0.25Co0.95Ni0.05Sb compound at 813K.

  18. Designing photoresist systems for CO2-based microlithography

    NASA Astrophysics Data System (ADS)

    Flowers, Devin; Hoggan, Erik N.; Carbonell, Ruben G.; DeSimone, Joseph M.

    2002-07-01

    Carbon dioxide (CO2) based microlithography (dry microlithography) represents an immense opportunity for the semiconductor industry to keep pace with Moore's Law while reducing its environmental impact. Currently, rinsing <130nm developed images with supercritical CO2 is the only method which can prevent image collapse at this resolution. In this article, we will discuss CO2's ability to improve lithographic performance as we demonstrate its potential to replace the most solvent intensive steps of the microlithography process; spin coating, developing, and stripping. During these steps, semiconductor manufacturers produce vast amounts of organic and aqueous waste, which are detrimental to our ecosystem. However, before CO2 can replace conventional solvents, photoresist systems must be designed and synthesized to be compatible with CO2. These photoresists must be soluble in liquid CO2 to insure that uniform thin-films can be produced by spin coating while maintaining characteristics of conventional resist systems such as low absorbance, high sensitivity, solubility contrast, good resolution, and etch resistance. Using our CO2 compatible resist system, we will show the ability of CO2 to spin coat uniform thin-films which (after exposing and PEB) can be developed using scCO2 to produce lithography features that may be stripped in CO2. Thus, revealing the enormous potential of CO2 to provide the microlithography industry an opportunity to escape its water and organic solvent dependence.

  19. First principle investigations of the structural, electronic and magnetic properties of predicted new zirconium based full-Heusler compounds, Zr2MnZ (Z=Al, Ga and In)

    NASA Astrophysics Data System (ADS)

    Birsan, A.; Kuncser, V.

    2016-05-01

    The crystal structure, electronic and magnetic properties of predicted new full-Heusler compounds Zr2MnZ (Z=Al, Ga, In) were studied within the density functional theory (DFT) framework. These materials exhibit unique properties that connect the spin gapless semiconducting character with the completely compensated ferrimagnetism. Magnetically ordered Zr2MnZ (Z=Al, Ga, In) compounds crystallize in inverse Heusler structure are stable against decomposition and have zero magnetic moment per formula unit, in agreement with Slater-Pauling rule. The Zr2MnAl compound presents semiconducting properties with an energy band gap of 0.41 eV in the majority spin channel and a zero band gap in the minority spin channel. By substituting completely the Al in Zr2MnAl via Ga and In elements, semiconducting pseudo band gaps are formed in the majority spin channels due to different neighborhoods around the manganese atoms, which decreases the energy of Mn triple degenerated anti-bonding states.

  20. Half-Heusler semiconductors as piezoelectrics.

    PubMed

    Roy, Anindya; Bennett, Joseph W; Rabe, Karin M; Vanderbilt, David

    2012-07-20

    We use a first-principles rational-design approach to demonstrate the potential of semiconducting half-Heusler compounds as a previously unrecognized class of piezoelectric materials. We perform a high-throughput scan of a large number of compounds, testing for insulating character and calculating structural, dielectric, and piezoelectric properties. Our results provide guidance for the experimental realization and characterization of high-performance materials in this class that may be suitable for practical applications.

  1. Ultralow Thermal Conductivity in Full Heusler Semiconductors.

    PubMed

    He, Jiangang; Amsler, Maximilian; Xia, Yi; Naghavi, S Shahab; Hegde, Vinay I; Hao, Shiqiang; Goedecker, Stefan; Ozoliņš, Vidvuds; Wolverton, Chris

    2016-07-22

    Semiconducting half and, to a lesser extent, full Heusler compounds are promising thermoelectric materials due to their compelling electronic properties with large power factors. However, intrinsically high thermal conductivity resulting in a limited thermoelectric efficiency has so far impeded their widespread use in practical applications. Here, we report the computational discovery of a class of hitherto unknown stable semiconducting full Heusler compounds with ten valence electrons (X_{2}YZ, X=Ca, Sr, and Ba; Y=Au and Hg; Z=Sn, Pb, As, Sb, and Bi) through high-throughput ab initio screening. These new compounds exhibit ultralow lattice thermal conductivity κ_{L} close to the theoretical minimum due to strong anharmonic rattling of the heavy noble metals, while preserving high power factors, thus resulting in excellent phonon-glass electron-crystal materials.

  2. Ultralow Thermal Conductivity in Full Heusler Semiconductors.

    PubMed

    He, Jiangang; Amsler, Maximilian; Xia, Yi; Naghavi, S Shahab; Hegde, Vinay I; Hao, Shiqiang; Goedecker, Stefan; Ozoliņš, Vidvuds; Wolverton, Chris

    2016-07-22

    Semiconducting half and, to a lesser extent, full Heusler compounds are promising thermoelectric materials due to their compelling electronic properties with large power factors. However, intrinsically high thermal conductivity resulting in a limited thermoelectric efficiency has so far impeded their widespread use in practical applications. Here, we report the computational discovery of a class of hitherto unknown stable semiconducting full Heusler compounds with ten valence electrons (X_{2}YZ, X=Ca, Sr, and Ba; Y=Au and Hg; Z=Sn, Pb, As, Sb, and Bi) through high-throughput ab initio screening. These new compounds exhibit ultralow lattice thermal conductivity κ_{L} close to the theoretical minimum due to strong anharmonic rattling of the heavy noble metals, while preserving high power factors, thus resulting in excellent phonon-glass electron-crystal materials. PMID:27494488

  3. Ultralow Thermal Conductivity in Full Heusler Semiconductors

    NASA Astrophysics Data System (ADS)

    He, Jiangang; Amsler, Maximilian; Xia, Yi; Naghavi, S. Shahab; Hegde, Vinay I.; Hao, Shiqiang; Goedecker, Stefan; OzoliĆš, Vidvuds; Wolverton, Chris

    2016-07-01

    Semiconducting half and, to a lesser extent, full Heusler compounds are promising thermoelectric materials due to their compelling electronic properties with large power factors. However, intrinsically high thermal conductivity resulting in a limited thermoelectric efficiency has so far impeded their widespread use in practical applications. Here, we report the computational discovery of a class of hitherto unknown stable semiconducting full Heusler compounds with ten valence electrons (X2Y Z , X =Ca , Sr, and Ba; Y =Au and Hg; Z =Sn , Pb, As, Sb, and Bi) through high-throughput ab initio screening. These new compounds exhibit ultralow lattice thermal conductivity κL close to the theoretical minimum due to strong anharmonic rattling of the heavy noble metals, while preserving high power factors, thus resulting in excellent phonon-glass electron-crystal materials.

  4. Superconductivity and Shubnikov-de Haas oscillations in the noncentrosymmetric half-Heusler compound YPtBi

    NASA Astrophysics Data System (ADS)

    Pavlosiuk, Orest; Kaczorowski, Dariusz; Wiśniewski, Piotr

    2016-07-01

    Recent findings of possible topological superconductivity in YPtBi motivated us to grow and investigate single crystals of this material. The compound was studied by means of ac magnetic susceptibility, electrical resistivity, Hall resistivity, and heat capacity measurements, performed in wide ranges of temperature and magnetic field. The superconductivity below the critical temperature Tc=0.97 K was clearly reflected in the magnetic and electronic transport data. The upper critical field Bc 2 was estimated at 1.84 T. However, no obvious anomaly near Tc was found in the temperature dependence of the heat capacity. In the normal state YPtBi appears semimetallic but its electrical conductance can be described by two components corresponding to parallel channels: metallic and semiconducting, with the latter becoming negligible at temperatures below 40 K. Shubnikov-de Haas oscillations were observed at temperatures below 10 K. Nontrivial Berry phase together with weak antilocalization effect strongly support the presence of Dirac fermions in YPtBi.

  5. CO2-based in-line phase contrast imaging of small intestine in mice

    NASA Astrophysics Data System (ADS)

    Tang, Rongbiao; Li, Wei-Xia; Huang, Wei; Yan, Fuhua; Chai, Wei-Min; Yang, Guo-Yuan; Chen, Ke-Min

    2013-07-01

    The objective of this study was to explore the potential of CO2 single contrast in-line phase contrast imaging (PCI) for pre-clinical small intestine investigation. The absorption and phase contrast images of CO2 gas production were attained and compared. A further increase in image contrast was observed in PCI. Compared with CO2-based absorption contrast imaging (ACI), CO2-based PCI significantly enhanced the detection of mucosal microstructures, such as pits and folds. The CO2-based PCI could provide sufficient image contrast for clearly showing the intestinal mucosa in living mice without using barium. We concluded that CO2-based PCI might be a novel and promising imaging method for future studies of gastrointestinal disorders.

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

    NASA Astrophysics Data System (ADS)

    Khalaf Al-zyadi, Jabbar M.; Jolan, Mudhahir H.; Yao, Kai-Lun

    2016-04-01

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

  7. Impact of excess iron on the calculated electronic and magnetic properties of Co{sub 3–x}Fe{sub x}Si Heusler-compound

    SciTech Connect

    Debbichi, M.; Hamad, B.

    2014-09-14

    Ab initio density functional calculations are performed on the Co{sub 3–x}Fe{sub x}Si alloys with variable iron composition (1≤x≤3). The evolution of the structural, electronic, and magnetic properties is investigated within different levels of approximations. These alloys crystallize in cubic Heusler structures, which evolve from the regular L2₁ structure for Co₂FeSi to the inverse X structure for x≥2. Using on-site Coulomb interactions of U{sub eff}(Co)=3.07 eV and U{sub eff}(Fe)=3.4 eV is found to describe consistently the experimental properties for x≤2. A good agreement between calculated and experimental magnetic moments is found for the cubic inverse Heusler phases without the addition of Hubbard-model. The spin polarization is found to range from 1 for Fe concentrations of x≤2, indicating the half-metallic character, to –0.29 at x=3.

  8. Disorder scattering effect on the high-temperature lattice thermal conductivity of TiCoSb-based half-Heusler compounds

    NASA Astrophysics Data System (ADS)

    Zhou, Min; Chen, Lidong; Zhang, Wenqing; Feng, Chude

    2005-07-01

    The lattice thermal conductivities of TiCoSb-based half-Heusler alloys are presented in the temperature range between 300 and 900K. A phenomenological model calculation of the high-temperature lattice thermal conductivities of these alloys was derived based on the Klemens-Callaway theory [Phys. Rev. 119, 507 (1960); ibid. 113, 1046 (1959)]. Good agreement was obtained between the calculated and the experimental data for TiCoSb, TiCo0.5Rh0.5Sb, and Ti0.5Zr0.5CoSb. Furthermore, the model predicts that simultaneously isoelectronic alloying on both Ti and Co sublattices could reduce the lattice thermal conductivity, and a κL value of 0.3W /mK is predicted for Ti0.5Zr0.5Co0.5Rh0.5Sb at 900K.

  9. Disorder scattering effect on the high-temperature lattice thermal conductivity of TiCoSb-based half-Heusler compounds

    SciTech Connect

    Zhou Min; Chen Lidong; Zhang Wenqing; Feng Chude

    2005-07-01

    The lattice thermal conductivities of TiCoSb-based half-Heusler alloys are presented in the temperature range between 300 and 900 K. A phenomenological model calculation of the high-temperature lattice thermal conductivities of these alloys was derived based on the Klemens-Callaway theory [Phys. Rev. 119, 507 (1960); ibid. 113, 1046 (1959)]. Good agreement was obtained between the calculated and the experimental data for TiCoSb, TiCo{sub 0.5}Rh{sub 0.5}Sb, and Ti{sub 0.5}Zr{sub 0.5}CoSb. Furthermore, the model predicts that simultaneously isoelectronic alloying on both Ti and Co sublattices could reduce the lattice thermal conductivity, and a {kappa}{sub L} value of 0.3 W/m K is predicted for Ti{sub 0.5}Zr{sub 0.5}Co{sub 0.5}Rh{sub 0.5}Sb at 900 K.

  10. Local formation of a Heusler structure in CoFe-Al alloys

    NASA Astrophysics Data System (ADS)

    Wurmehl, S.; Jacobs, P. J.; Kohlhepp, J. T.; Swagten, H. J. M.; Koopmans, B.; Maat, S.; Carey, M. J.; Childress, J. R.

    2011-01-01

    We systematically study the changes in the local atomic environments of Co in CoFe-Al alloys as a function of Al content by means of nuclear magnetic resonance. We find that a Co2FeAl Heusler type structure is formed on a local scale. The observed formation of a highly spin-polarized Heusler compound may explain the improved magnetotransport properties in CoFe-Al based current-perpendicular-to-the-plane spin-valves.

  11. Spectroscopy of the electronic states of the Heusler compounds Co2FeAl and Co2Cr0.6Fe0.4Al and the influence of oxidation

    NASA Astrophysics Data System (ADS)

    Jourdan, Martin; Große-Schulte, Fabian; Hahn, Michaela; Schönhense, Gerd

    2011-04-01

    The band structures of the Heusler compounds Co2Cr0.6Fe0.4Al and Co2FeAl were investigated in situ by angle-resolved ultraviolet photoemission spectroscopy. The samples were prepared by a sputtering process optimized for tunnelling junction preparation, the photoemission process in the normal direction of the (0 0 1)-oriented thin films was excited by a helium gas discharge lamp (hν = 21.2 eV and hν = 40.8 eV). The spectra of clean samples are compared with calculations of the total and partial bulk density of states and are evaluated within the three-step model of photoemission. Basic agreement with theoretical predictions of the bulk band structure is concluded. At oxygen exposures of the thin films of only 1 Langmuir a chemisorption phase with significant changes in the valence-band spectrum near the Fermi energy is observed. At 10 L oxygen the spectra are indicative of an oxide within the UPS probing depth.

  12. Observation of a topologically non-trivial surface state in half-Heusler PtLuSb (001) thin films

    NASA Astrophysics Data System (ADS)

    Logan, J. A.; Patel, S. J.; Harrington, S. D.; Polley, C. M.; Schultz, B. D.; Balasubramanian, T.; Janotti, A.; Mikkelsen, A.; Palmstrøm, C. J.

    2016-06-01

    The discovery of topological insulators, materials with bulk band gaps and protected cross-gap surface states in compounds such as Bi2Se3, has generated much interest in identifying topological surface states (TSSs) in other classes of materials. In particular, recent theoretical calculations suggest that TSSs may be found in half-Heusler ternary compounds. If experimentally realizable, this would provide a materials platform for entirely new heterostructure spintronic devices that make use of the structurally identical but electronically varied nature of Heusler compounds. Here we show the presence of a TSS in epitaxially grown thin films of the half-Heusler compound PtLuSb. Spin- and angle-resolved photoemission spectroscopy, complemented by theoretical calculations, reveals a surface state with linear dispersion and a helical tangential spin texture consistent with previous predictions. This experimental verification of topological behaviour is a significant step forward in establishing half-Heusler compounds as a viable material system for future spintronic devices.

  13. Observation of a topologically non-trivial surface state in half-Heusler PtLuSb (001) thin films.

    PubMed

    Logan, J A; Patel, S J; Harrington, S D; Polley, C M; Schultz, B D; Balasubramanian, T; Janotti, A; Mikkelsen, A; Palmstrøm, C J

    2016-01-01

    The discovery of topological insulators, materials with bulk band gaps and protected cross-gap surface states in compounds such as Bi2Se3, has generated much interest in identifying topological surface states (TSSs) in other classes of materials. In particular, recent theoretical calculations suggest that TSSs may be found in half-Heusler ternary compounds. If experimentally realizable, this would provide a materials platform for entirely new heterostructure spintronic devices that make use of the structurally identical but electronically varied nature of Heusler compounds. Here we show the presence of a TSS in epitaxially grown thin films of the half-Heusler compound PtLuSb. Spin- and angle-resolved photoemission spectroscopy, complemented by theoretical calculations, reveals a surface state with linear dispersion and a helical tangential spin texture consistent with previous predictions. This experimental verification of topological behaviour is a significant step forward in establishing half-Heusler compounds as a viable material system for future spintronic devices.

  14. Doping effects on thermoelectric properties of the off-stoichiometric Heusler compounds Fe{sub 2−x}V{sub 1+x}Al

    SciTech Connect

    Nishino, Y. Tamada, Y.

    2014-03-28

    The thermoelectric properties of Heusler-type Fe{sub 2−x}V{sub 1+x}Al{sub 1−y}Si{sub y} and Fe{sub 2−x}V{sub 1+x−y}Ti{sub y}Al alloys have been investigated to clarify which off-stoichiometric alloy, i.e., V-rich (x > 0) or V-poor (x < 0), is more effective in enhancing the Seebeck coefficient when doped by Si and Ti, while retaining a low electrical resistivity. Large Seebeck coefficients of −182 μV/K and 110 μV/K at 300 K are obtained for n-type Fe{sub 1.95}V{sub 1.05}Al{sub 0.97}Si{sub 0.03} and p-type Fe{sub 2.04}V{sub 0.93}Ti{sub 0.03}Al, respectively. When the Seebeck coefficient is plotted as a function of valence electron concentration (VEC), the VEC dependence for the doped off-stoichiometric alloys falls on characteristic curves depending on the off-stoichiometric composition x. It is concluded that a larger Seebeck coefficient with a negative sign can be obtained for the V-rich alloys rather than the V-poor alloys, whilst good p-type materials are always derived from the V-poor alloys. Substantial enhancements in the Seebeck coefficient for the off-stoichiometric alloys could be achieved by a favorable modification in the electronic structure around the Fermi level through the antisite V or Fe defect formation.

  15. Electronic structure of Zr-Ni-Sn systems: role of clustering and nanostructures in half-Heusler and Heusler limits.

    PubMed

    Do, Dat T; Mahanti, S D; Pulikkoti, Jiji J

    2014-07-01

    Half-Heusler and Heusler compounds have been of great interest for several decades for thermoelectric, magnetic, half-metallic and many other interesting properties. Among these systems, Zr-Ni-Sn compounds are interesting thermoelectrics which can go from semiconducting half-Heusler (HH) limit, ZrNiSn, to metallic Heusler (FH) limit, ZrNi2Sn. Recently Makongo et al (2011 J. Am. Chem. Soc. 133 18843) found that dramatic improvement in the thermoelectric power factor of HH can be achieved by putting excess Ni into the system. This was attributed to an energy filtering mechanism due to the presence of FH nanostructures in the HH matrix. Using density functional theory we have investigated clustering and nanostructure formation in ZrNi1+xSn (0 ⩽ x ⩽ 1) systems near the HH (x = 0) and FH (x = 1) ends and have found that excess Ni atoms in HH tend to stay close to each other and form nanoclusters. On the other hand, there is competing interaction between Ni-vacancies occupying different sites in FH which prevents them from forming vacancy nanoclusters. Effects of nano-inclusions on the electronic structure near HH and FH ends are discussed.

  16. High-T C fully compensated ferrimagnetic semiconductors as spin-filter materials: the case of CrVXAl (X = Ti, Zr, Hf) Heusler compounds.

    PubMed

    Galanakis, I; Özdoğan, K; Şaşıoglu, E

    2014-02-26

    We extend our recent work on spin-filter materials (Galanakis et al 2013 Appl. Phys. Lett.103 142404) to the case of CrVXAl (X = Ti, Zr, Hf) compounds, for which, using ab initio electronic structure calculations, we show that p-d hybridization leads to the formation of a fully compensated ferrimagnetic semiconducting state with moderate exchange splitting. The magnetism is of covalent-type and the very strong antiferromagnetic Cr-V exchange interactions lead to extremely high Curie temperature, TC, values. Furthermore, all three compounds are thermodynamically and magnetically stable. The combination of very high TC values with a zero total net magnetization makes them promising materials for spintronics applications.

  17. Prediction of phase transition, mechanical and electronic properties of inverse Heusler compound Y2RuPb, via FP-LMTO method

    NASA Astrophysics Data System (ADS)

    Labair, M.; Rached, H.; Rached, D.; Benalia, S.; Abidri, B.; Khenata, R.; Ahmed, R.; Omran, S. Bin; Bouhemadou, A.; Syrotyuk, S. V.

    2016-03-01

    Topological insulators (TI) are immensely investigated due to their promising characteristics for spintronics and quantum computing applications. In this regard, although bismuth, telluride, selenide and antimony containing compounds are typically considered as topological insulators, materials with Hg2CuTi-type structure have also shown their potential for TIs as well. Here, we present first principles study of the Y2RuPb compound, pertaining to its structural, mechanical, electrical and the optical properties. Calculations are executed at the level of the parameterized Perdew-Burke-Ernzerhof (PBE) generalized gradient approximation (GGA), employing the full-potential (FP) linearized muffin-tin orbital (LMTO) approach, as designed within the density functional theory (DFT). The study is carried out on the Hg2CuTi-type and Cu2MnAl-type structures of the Y2RuPb compound. From our structural calculations, it is found that Y2RuPb is more stable in its Hg2CuTi-type structure; however, the analysis of the mechanical properties reveals its stability in both phases against any kind of elastic deformation. Similarly, Dirac cone shaped surface energy levels found in the predicted electronic band structure of the Y2RuPb compound, and good agreement of the obtained results with Zhang et al., demonstrates that it is a topological insulating material. Additionally, the real and imaginary parts of the dielectric function ɛ (ω) and refractive index n (ω), for an energy range up to 14eV, are analyzed as well.

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

    NASA Astrophysics Data System (ADS)

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

    2016-01-01

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

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

    PubMed

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

    2008-12-15

    The purpose of the present work is to evaluate a novel CO(2)-based cold sterilization process in terms of both its killing efficiency and its effects on the physical properties of a model hydrogel, poly(acrylic acid-co-acrylamide) potassium salt. Suspensions of Staphylococcus aureus and Escherichia coli were prepared for hydration and inoculation of the gel. The hydrogels were treated with supercritical CO(2) (40 degrees C, 27.6 MPa). The amount of bacteria was quantified before and after treatment. With pure CO(2), complete killing of S. aureus and E. coli was achieved for treatment times as low as 60 min. After treatment with CO(2) plus trace amounts of H(2)O(2) at the same experimental conditions, complete bacteria kill was also achieved. For times less than 30 min, incomplete kill was noted. Several physical properties of the gel were evaluated before and after SC-CO(2) treatment. These were largely unaffected by the CO(2) process. Drying curves showed no significant change between treated (pure CO(2) and CO(2) plus 30% H(2)O(2)) and untreated samples. The average equilibrium swelling ratios were also very similar. No changes in the dry hydrogel particle structure were evident from SEM micrographs. PMID:18571803

  20. Half-Heusler topological insulators: A first-principles study with the Tran-Blaha modified Becke-Johnson density functional

    SciTech Connect

    Feng, wanxiang; Xiao, Di; Zhang, Ying; Yao, yugui

    2010-01-01

    We systematically investigate the topological band structures of half-Heusler compounds using first- principles calculations. The modified Becke-Johnson exchange potential together with local-density approxi- mation for the correlation potential MBJLDA has been used here to obtain accurate band inversion strength and band order. Our results show that a large number of half-Heusler compounds are candidates for three- dimensional topological insulators. The difference between band structures obtained using the LDA and MB- JLDA potential is also discussed.

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

    NASA Astrophysics Data System (ADS)

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

    2015-12-01

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

  2. Doping designed half-Heusler insulators

    NASA Astrophysics Data System (ADS)

    Yu, Yonggang; Zhang, Xiuwen; Yu, Liping; Yan, Feng; Nagaraja, A.; Mason, T. O.; Zunger, Alex

    2015-03-01

    The 18-valence-electron 1:1:1 compounds of the type III-X-V, IV-X-IV, IV-IX-V and V-IX-IV include thermoelectric materials, topological insulators, and recently a high mobility p-type transparent conductor TaIrGe (arXiv:1406.0872), yet their intrinsic doping trends are poorly known or understood. Using the ``modern theory of doping'' that addresses via DFT and HSE the thermodynamic formation energies and the DFT-corrected transition levels in the gap, we find the following interesting trends: (1) High atomic number compounds such as TaIrGe made of metallic elements can surprisingly have a large band gap (direct) of ~ 2.5 eV. (2) Half-Heusler such as A(IV)B(X)C(IV) is naturally n-type if its DFT calculated chemical stability field resides within the A-rich or B-rich domain of the stability triangle, while it is p-type if it resides within the C-rich domain. Such calculations provide a good metric. (3) When the B atom [at (1/4,1/4,1/4)] is as large as Ir or Pt, the compound prefers p-type because the C-on-A antisite [such as Ge Ta (1 -) ] is a shallow acceptor producing holes yet the hole-killer donor of B-interstitial is unfavorable. (4) When B =Ni or Co, the compound favors n-type due to the dominance of B-interstitial defects (e.g. TiCoSb). We will show the calculated leading defect types and the dependence of carrier concentrations on chemical conditions for newly predicted half-Heulser insulators. This study is supported by DOE, Office of Science, Basic Energy Science, MSE division grant to CU Boulder.

  3. A new n-type half-Heusler thermoelectric material NbCoSb

    SciTech Connect

    Huang, Lihong; He, Ran; Chen, Shuo; Zhang, Hao; Dahal, Keshab; Zhou, Haiqing; Wang, Hui; Zhang, Qinyong; Ren, Zhifeng

    2015-10-15

    Highlights: • Half-Heusler alloy NbCoSb with 19 valence electron count was studied as TE material. • It is surprising that NbCoSb is n-type. • A maximum ZT of ∼0.4 is achieved at 700 °C without optimization. • It opens up a new route to develop new half-Heusler thermoelectric materials. • It is very interesting that a traditionally thought of VEC of 18 is not required. - Abstract: We surprisingly made a new n-type thermoelectric compound NbCoSb with half-Heusler (HH) structure having valence electron count of 19, different from the traditional 18, which opens up a new route to develop new half-Heusler thermoelectric materials not following the traditional valence electron count of 18. The samples are made by arc melting followed by ball milling and hot pressing. The effect of hot pressing temperature on the thermoelectric properties of NbCoSb samples has been studied. A maximum thermoelectric figure-of-merit (ZT) of ∼0.4 is achieved at 700 °C in NbCoSb sample that is hot pressed at 1000 °C. This work add a new member to HH compounds for thermoelectric applications, although the peak ZT of ∼0.4 is still lower than that of the traditional HHs. Moreover, it is very interesting to see that a traditionally thought of valence electron counts of 18 is not required.

  4. Evidence of Fermi level control in a half-metallic Heusler compound Co2MnSi by Al-doping: Comparison of measurements with first-principles calculations

    NASA Astrophysics Data System (ADS)

    Sakuraba, Y.; Takanashi, K.; Kota, Y.; Kubota, T.; Oogane, M.; Sakuma, A.; Ando, Y.

    2010-04-01

    The Fermi level (EF) control of half-metallic Heusler alloy Co2MnSi by Al-doping was challenged in magnetic tunnel junctions with a Co2MnAlxSi1-x (CMAS) electrode. The observed bias voltage dependence on tunneling conductance ( G-V curves) clearly shows a shift in EF toward the center of the half-metallic gap with x , which showed excellent agreement with our first-principles calculations. However, the ratio of tunnel magnetoresistance (TMR) at 10 K to that at room temperature does not exhibit a remarkable change with x . The weak exchange energy at the CMAS interface may be the origin for the large temperature dependence of the TMR ratio.

  5. Observation of a topologically non-trivial surface state in half-Heusler PtLuSb (001) thin films

    PubMed Central

    Logan, J. A.; Patel, S. J.; Harrington, S. D.; Polley, C. M.; Schultz, B. D.; Balasubramanian, T.; Janotti, A.; Mikkelsen, A.; Palmstrøm, C. J.

    2016-01-01

    The discovery of topological insulators, materials with bulk band gaps and protected cross-gap surface states in compounds such as Bi2Se3, has generated much interest in identifying topological surface states (TSSs) in other classes of materials. In particular, recent theoretical calculations suggest that TSSs may be found in half-Heusler ternary compounds. If experimentally realizable, this would provide a materials platform for entirely new heterostructure spintronic devices that make use of the structurally identical but electronically varied nature of Heusler compounds. Here we show the presence of a TSS in epitaxially grown thin films of the half-Heusler compound PtLuSb. Spin- and angle-resolved photoemission spectroscopy, complemented by theoretical calculations, reveals a surface state with linear dispersion and a helical tangential spin texture consistent with previous predictions. This experimental verification of topological behaviour is a significant step forward in establishing half-Heusler compounds as a viable material system for future spintronic devices. PMID:27346655

  6. Observation of a topologically non-trivial surface state in half-Heusler PtLuSb (001) thin films

    DOE PAGESBeta

    Logan, J. A.; Patel, S. J.; Harrington, S. D.; Polley, C. M.; Schultz, B. D.; Balasubramanian, T.; Janotti, A.; Mikkelsen, A.; Palmstrøm, C. J.

    2016-06-27

    The discovery of topological insulators, materials with bulk band gaps and protected cross-gap surface states in compounds such as Bi2Se3, has generated much interest in identifying topological surface states (TSSs) in other classes of materials. In particular, recent theoretical calculations suggest that TSSs may be found in half-Heusler ternary compounds. If experimentally realizable, this would provide a materials platform for entirely new heterostructure spintronic devices that make use of the structurally identical but electronically varied nature of Heusler compounds. Here we show the presence of a TSS in epitaxially grown thin films of the half-Heusler compound PtLuSb. Spin- and angle-resolvedmore » photoemission spectroscopy, complemented by theoretical calculations, reveals a surface state with linear dispersion and a helical tangential spin texture consistent with previous predictions. As a result, this experimental verification of topological behavior is a significant step forward in establishing half-Heusler compounds as a viable material system for future spintronic devices.« less

  7. Large tunneling magnetoresistance effect at high voltage drop for Co-based Heusler alloy/MgO/CoFe junctions

    SciTech Connect

    Rata, A. D.; Braak, H.; Buergler, D. E.; Schneider, C. M.

    2007-05-01

    Growth and magnetic characterization of thin films of Co{sub 2}Cr{sub 0.6}Fe{sub 0.4}Al and Co{sub 2}MnSi full-Heusler compounds are investigated. Thin films were deposited by magnetron sputtering at room temperature directly onto oxidized Si wafers. These Heusler films are magnetically very soft and ferromagnetic with Curie temperatures well above room temperature. Polycrystalline Co{sub 2}Cr{sub 0.6}Fe{sub 0.4}Al Heusler films combined with MgO barriers and CoFe counter electrodes are structured to magnetic tunnel junctions and yield almost 50% magnetoresistance at room temperature. The magnetoresistance shows a strong bias dependence with the maximum occurring at a voltage drop well above 1 V. This special feature is accompanied by only a moderate temperature dependence of the tunnel magnetoresistance.

  8. Enhancement of thermoelectric properties in the Nb-Co-Sn half-Heusler/Heusler system through spontaneous inclusion of a coherent second phase

    NASA Astrophysics Data System (ADS)

    Buffon, Malinda L. C.; Laurita, Geneva; Verma, Nisha; Lamontagne, Leo; Ghadbeigi, Leila; Lloyd, Demetrious L.; Sparks, Taylor D.; Pollock, Tresa M.; Seshadri, Ram

    2016-08-01

    Half-Heusler XYZ compounds with an 18 valence electron count are promising thermoelectric materials, being thermally and chemically stable, deriving from relatively earth-abundant components, and possessing appropriate electrical transport properties. The typical drawback with this family of compounds is their high thermal conductivity. A strategy for reducing thermal conductivity is through the inclusion of secondary phases designed to minimize negative impact on other properties. Here, we achieve this through the addition of excess Co to half-Heusler NbCoSn, which introduces precipitates of a semi-coherent NbCo2Sn Heusler phase. A series of NbCo1+xSn materials are characterized here using X-ray and neutron diffraction studies and electron microscopy. Electrical and thermal transport measurements and electronic structure calculations are used to understand property evolution. We find that annealing has an important role to play in determining antisite ordering and properties. Antisite disorder in the as-prepared samples improves thermoelectric performance through the reduction of thermal conductivity, but annealing during the measurement degrades properties to resemble those of the annealed samples. Similar to the more widely studied TiNi1+xSn system, Co addition to the NbCoSn phase results in improved thermoelectric performance through a decrease in thermal conductivity which results in a 20% improvement in the thermoelectric figure of merit, zT.

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

    SciTech Connect

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

    2014-10-28

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

  10. Improving the thermoelectric properties of half-Heusler TiNiSn through inclusion of a second full-Heusler phase: microwave preparation and spark plasma sintering of TiNi(1+x)Sn.

    PubMed

    Birkel, Christina S; Douglas, Jason E; Lettiere, Bethany R; Seward, Gareth; Verma, Nisha; Zhang, Yichi; Pollock, Tresa M; Seshadri, Ram; Stucky, Galen D

    2013-05-14

    Half-Heusler thermoelectrics offer the possibility to choose from a variety of non-toxic and earth-abundant elements. TiNiSn is of particular interest and - with its relatively high electrical conductivity and Seebeck coefficient - allows for optimization of its thermoelectric figure of merit, reaching values of up to 1 in heavily-doped and/or phase-segregated systems. In this contribution, we used an energy- and time-efficient process involving solid-state preparation in a commercial microwave oven and a fast consolidation technique, Spark Plasma Sintering, to prepare a series of Ni-rich TiNi1+xSn with small deviations from the half-Heusler composition. Spark Plasma Sintering plays an important role in the process by being a part of the synthesis of the material rather than solely a densification technique. Synchrotron powder X-ray diffraction and microprobe data confirm the presence of a secondary TiNi2Sn full-Heusler phase within the half-Heusler matrix. We observe a clear correlation between the amount of full-Heusler phase and the lattice thermal conductivity of the samples, resulting in decreasing total thermal conductivity with increasing TiNi2Sn fraction. This trend shows that phonons are scattered effectively as a result of the microstructure of the materials with full-Heusler inclusions in the size range of microns to tens of microns. The best performing samples with around 5% of TiNi2Sn phase exhibit maximum figures of merit of almost 0.6 between 750 K and 800 K which is an increase of ca. 35% compared to the zT of the parent compound TiNiSn.

  11. MIT and Itinerant Ferromagnetism in the Half Heuslers

    NASA Astrophysics Data System (ADS)

    Drymiotis, Fivos; Balicas, Luis; Fisk, Zachary

    2002-03-01

    We have performed a single crystal study on selected members of the half Heusler family of compounds. In particular we have studied the evolution from the non-magnetic TiCoSb, to what we find to be, ferromagnetic VCoSb and paramagnetic TiFeSb. We have also studied the transition from the non-magnetic TiNiSn to the ferromagnetic TiCoSn. Resistance, magnetization and heat capacity measurements were performed on members of the series. Contrary to band structure calculations, we have found that TiCoSb is metallic but very close to a metal-insulator transition. Preliminary measurements indicate the opening of a gap with applied pressure. In the case of VCoSb and TiCoSn the onset of ferromagnetism seems to be of Stoner type and the transition to the magnetic metallic state is accompanied by lattice parameter changes.

  12. Electrical and magnetic properties of light rare-earth Heusler single crystals RInCu sub 2 , R=La, Pr, Nd, and Sm

    SciTech Connect

    Sato, K.; Mizushima, T.; Kondo, K. ); Isikawa, Y.; Mori, K. ); Umehara, I. )

    1991-04-15

    Electrical resistivity {rho} and magnetic properties of light rare-earth Heusler single crystals RInCu{sub 2}, R=La, Pr, Nd, and Sm, have been measured in the temperature range 1.3--300 K. No anomalies due to magnetic transitions were found in the temperature dependence of {rho} and magnetic susceptibility {chi} above 4.2 K. Pr and Nd Heusler compounds have large negative paramagnetic Curie temperatures {minus}19 and {minus}29 K, respectively. The temperature dependence of {chi} is discussed on the basis of the crystalline field effect. For Sm compound, {chi}({ital T}) is discussed by means of Van Vleck paramagnetism.

  13. Thermoelectric properties of half-Heusler topological insulators MPtBi (M = Sc, Y, La) induced by strain

    NASA Astrophysics Data System (ADS)

    Ding, Guangqian; Gao, G. Y.; Yu, Li; Ni, Yun; Yao, KaiLun

    2016-01-01

    Thermoelectric (TE) materials and topological insulators (TIs) were recently known to exhibit close connection, which offers new prospects in improving the TE performance. However, currently known TE materials from TIs mostly belong to the early Bi2Te3 family. In order to extend TE materials to other classes of TIs, we use the first-principles combined with Boltzmann transport theory to study the electronic and TE properties of experimental half-Heusler compounds MPtBi (M = Sc, Y, La). We find that all MPtBi are topological semimetals at equilibrium lattices while TIs under a stretched uniaxial strain, which is in agreement with previous works. We further predict that comparable TE performance with Bi2Te3 can be realized in half-Heusler TI LaPtBi by an 8% stretched uniaxial strain. We also reveal that the lattice thermal conductivity of LaPtBi is unprecedented low compared with those of traditional half-Heusler compounds (not TIs). These findings indicate the potential of half-Heusler TIs as TE materials.

  14. The intrinsic disorder related alloy scattering in ZrNiSn half-Heusler thermoelectric materials.

    PubMed

    Xie, Hanhui; Wang, Heng; Fu, Chenguang; Liu, Yintu; Snyder, G Jeffrey; Zhao, Xinbing; Zhu, Tiejun

    2014-01-01

    The intrinsic structural disorder dramatically affects the thermal and electronic transport in semiconductors. Although normally considered an ordered compound, the half-Heusler ZrNiSn displays many transport characteristics of a disordered alloy. Similar to the (Zr,Hf)NiSn based solid solutions, the unsubstituted ZrNiSn compound also exhibits charge transport dominated by alloy scattering, as demonstrated in this work. The unexpected charge transport, even in ZrNiSn which is normally considered fully ordered, can be explained by the Ni partially filling interstitial sites in this half-Heusler system. The influence of the disordering and defects in crystal structure on the electron transport process has also been quantitatively analyzed in ZrNiSn1-xSbx with carrier concentration nH ranging from 5.0 × 10(19) to 2.3 × 10(21) cm(-3) by changing Sb dopant content. The optimized carrier concentration nH ≈ 3-4 × 10(20) cm(-2) results in ZT ≈ 0.8 at 875K. This work suggests that MNiSn (M = Hf, Zr, Ti) and perhaps most other half-Heusler thermoelectric materials should be considered highly disordered especially when trying to understand the electronic and phonon structure and transport features.

  15. The intrinsic disorder related alloy scattering in ZrNiSn half-Heusler thermoelectric materials

    PubMed Central

    Xie, Hanhui; Wang, Heng; Fu, Chenguang; Liu, Yintu; Snyder, G. Jeffrey; Zhao, Xinbing; Zhu, Tiejun

    2014-01-01

    The intrinsic structural disorder dramatically affects the thermal and electronic transport in semiconductors. Although normally considered an ordered compound, the half-Heusler ZrNiSn displays many transport characteristics of a disordered alloy. Similar to the (Zr,Hf)NiSn based solid solutions, the unsubstituted ZrNiSn compound also exhibits charge transport dominated by alloy scattering, as demonstrated in this work. The unexpected charge transport, even in ZrNiSn which is normally considered fully ordered, can be explained by the Ni partially filling interstitial sites in this half-Heusler system. The influence of the disordering and defects in crystal structure on the electron transport process has also been quantitatively analyzed in ZrNiSn1-xSbx with carrier concentration nH ranging from 5.0×1019 to 2.3×1021 cm−3 by changing Sb dopant content. The optimized carrier concentration nH ≈ 3–4×1020 cm−2 results in ZT ≈ 0.8 at 875K. This work suggests that MNiSn (M = Hf, Zr, Ti) and perhaps most other half-Heusler thermoelectric materials should be considered highly disordered especially when trying to understand the electronic and phonon structure and transport features. PMID:25363573

  16. Estimates of late middle Eocene pCO2 based on stomatal density of modern and fossil Nageia leaves

    NASA Astrophysics Data System (ADS)

    Liu, X. Y.; Gao, Q.; Han, M.; Jin, J. H.

    2016-02-01

    Atmospheric pCO2 concentrations have been estimated for intervals of the Eocene using various models and proxy information. Here we reconstruct late middle Eocene (42.0-38.5 Ma) pCO2 based on the fossil leaves of Nageia maomingensis Jin et Liu collected from the Maoming Basin, Guangdong Province, China. We first determine relationships between atmospheric pCO2 concentrations, stomatal density (SD) and stomatal index (SI) using "modern" leaves of N. motleyi (Parl.) De Laub, the nearest living species to the Eocene fossils. This work indicates that the SD inversely responds to pCO2, while SI has almost no relationship with pCO2. Eocene pCO2 concentrations can be reconstructed based on a regression approach and the stomatal ratio method by using the SD. The first approach gives a pCO2 of 351.9 ± 6.6 ppmv, whereas the one based on stomatal ratio gives a pCO2 of 537.5 ± 56.5 ppmv. Here, we explored the potential of N. maomingensis in pCO2 reconstruction and obtained different results according to different methods, providing a new insight for the reconstruction of paleoclimate and paleoenvironment in conifers.

  17. The electronic and magnetic properties of quaternary Heusler alloy CoFeMnGe

    NASA Astrophysics Data System (ADS)

    Seema, K.

    2016-05-01

    We present study of quaternary Heusler alloy CoFeMnGe using density functional theory. The compound is half-metallic with half-metallic gap of 0.13 eV. The total magnetic moment of this compound is 3.96 μB which is in close agreement with Slater-Pauling rule. The effect of lattice compression and expansion shows the robustness of half-metallicity. A large value of half-metallic gap and 100% spin-polarization makes this material interesting for spin dependent applications.

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

    SciTech Connect

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

    2013-07-15

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

  19. Phase separation of full-Heusler nanostructures in half-Heusler thermoelectrics and vibrational properties from first-principles calculations

    NASA Astrophysics Data System (ADS)

    Page, Alexander; Uher, Ctirad; Poudeu, Pierre Ferdinand; Van der Ven, Anton

    2015-11-01

    Previous studies have indicated that the figure of merit (ZT ) of half-Heusler (HH) alloys with composition M NiSn (M =Ti , Zr, or Hf) is greatly enhanced when the alloys contain a nano-scale full-Heusler (FH) MN i2Sn second phase. However, the formation mechanism of the FHnanostructures in the HH matrix and their vibrational properties are still not well understood. We report on first-principles studies of thermodynamic phase equilibria in the MNiSn-MN i2Sn pseudobinary system as well as HH and FH vibrational properties. Thermodynamic phase diagrams as functions of temperature and Ni concentration were developed using density functional theory (DFT) combined with a cluster expansion and Monte Carlo simulations. The phase diagrams show very low excess Ni solubility in HH alloys even at high temperatures, which indicates that any Ni excess will decompose into a two-phase mixture of HH and FH compounds. Vibrational properties of HH and FH alloys are compared. Imaginary vibrational modes in the calculated phonon dispersion diagram of TiN i2Sn indicate a dynamical instability with respect to cubic [001] transverse acoustic modulations. Displacing atoms along unstable vibrational modes in cubic TiN i2Sn reveals lower-energy structures with monoclinic symmetry. The energy of the monoclinic structures is found to depend strongly on the lattice parameter. The origin of the instability in cubic TiN i2Sn and its absence in cubic ZrN i2Sn and HfN i2Sn is attributed to the small size of the Ti 3 d shells compared to those of Zr and Hf atoms. Lattice constants and heat capacities calculated by DFT agree well with experiment.

  20. A preliminary evaluation of an O2/CO2 based eddy covariance theory at Missouri AmeriFlux site

    NASA Astrophysics Data System (ADS)

    Yan, B.; Gu, L.

    2013-12-01

    The eddy covariance (EC) technique has been widely used at flux sites on every continent, across most ecosystem types and climates to monitor exchanges of momentum, mass and energy between land surface and atmosphere. In an attempt to develop a self-consistent theory for the EC technique, Gu et al. (2012) reformulated the fundamental equations for EC by introducing the concept of constraining gas that has no net ecosystem sink/source. Gu (2013) expanded the theory of Gu et al. (2012) to include paired gases whose ecosystem exchange ratios are stable over an averaging period (e.g. 30 min) and therefore can be used to constrain EC flux measurements of any gases. He proposed that O2 and CO2 are an ideal pair of gases as their biological processes are coupled and their ecosystem exchange ratio (also known as oxidative ratio) is close to 1. Advantages of this new O2/CO2 based EC theory include: 1) avoidance of covariance loss in calculating dry air density induced by spatial separation of measuring instruments and use of multiple indirectly derived variables, 2) the minimum number of assumptions adopted for the derivation of the equation, and 3) avoidance of errors related to linearization of ideal gas law. In this study, we conducted a preliminary evaluation for the basic principle of Gu (2013) EC theory. We crosschecked net ecosystem exchange (NEE) estimations from different, independent methods by using CO2 and H2O as paired constraining gases. Using CO2 and H2O instead of CO2 and O2 as paired constraining gases is not ideal in the framework of Gu (2013); however, no fast response O2 analyzer is currently available. CO2 and H2O are both transported between the inside of plants and canopy air through stomata on leaves in the processes of photosynthesis and transpiration which are known to be closely coupled. However, this close coupling is contaminated by other ecosystem sinks/sources, e.g. respiration of plants and soil for CO2 and evaporation of intercepted and soil

  1. Static and dynamic magnetic properties of cubic Mn-Co-Ga Heusler films

    SciTech Connect

    Demiray, A. S. Iihama, S.; Naganuma, H.; Oogane, M.; Ando, Y.; Kubota, T.; Mizukami, S. Miyazaki, T.

    2014-05-07

    We investigated the static and dynamic magnetic properties of thin films of Mn-Co-Ga Heusler compound. Gilbert damping and exchange stiffness constants of the films were evaluated by using the ferromagnetic resonance technique in the X-band regime (f = 9.4 GHz). By analyzing the experimental spectra, magnetic parameters of the films such as the line width and the Gilbert damping were deduced, and the exchange stiffness constant was estimated from the perpendicular standing spin-wave resonance. The Gilbert damping constant was estimated to be 0.017 in a specific film composition. The exchange stiffness constant showed a linear dependence on the film composition.

  2. Optimization of the thermoelectric properties of FeNbSb-based half-Heusler materials

    NASA Astrophysics Data System (ADS)

    Li, Wenfeng; Yang, Gui; Zhang, Jianwei

    2016-05-01

    FeNbSb-based half-Heusler compounds have recently been reported as promising materials for good high-temperature thermoelectric materials with a ZT  >  1. Their electronic structure and thermoelectric properties are investigated based on a first-principles simulation and the semi-classical Boltzmann transport theory. The band structures show not only light and heavy bands but also high band degeneracy near the valence band maximum, which is beneficial for thermoelectric performance. The calculated Seebeck coefficients of p-type FeNbSb at high carrier concentrations exhibit the expected high values, which is consistent with experimental data. The evolution of the electrical conductivity and power factor with carrier concentration at different temperatures is investigated. Our results show that the thermoelectric performance of p-type FeNbSb can be improved by appropriate substitution; for example, by doping Hf on the Nb site, the maximum ZT of the p-type FeNb1-x Hf x Sb can reach ~1.5 at 1200 K. This study can provide some theoretical guidance for experimental research to improve the thermoelectric performance of FeNbSb-based half-Heusler compounds.

  3. Polarization reduction in half-metallic Heusler alloys: the effect of point defects and interfaces with semiconductors.

    PubMed

    Picozzi, Silvia; Freeman, Arthur J

    2007-08-01

    Half-metallic full-Heusler alloys represent a promising class of materials for spintronic applications. However, (i) intrinsic point defects in Heusler compounds can be detrimental with respect to their predicted 100% spin polarization at the Fermi level and (ii) when joined to mainstream semiconductors the presence of interface states-which destroys half-metallicity-can degrade their performance. Here, we present an overview of recent first-principles calculations performed to explore both these issues. In particular, we focus on ab initio FLAPW calculations performed for Co(2)MnGe and Co(2)MnSi in the presence of intrinsic defects (such as stoichiometric atomic swaps as well as non-stoichiometric antisites) and when interfaced with GaAs and Ge. Our findings show that Mn antisites, due to their low formation energies, can easily occur, in excellent consistency with experimental observations, and that they do not destroy half-metallicity. On the other hand, Co antisites, which also show a modest formation energy, give rise to defect states at the Fermi level. As for the [001]-ordered interfaces, we show that the strong hybridization in proximity to the junction gives rise to rather broad interface states that locally destroy half-metallicity. However, the bulk gaps (both in the minority spin channel for the Heusler alloy and for both spin channels in the semiconducting side) are fully recovered within a few layers away from the junction.

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

    NASA Astrophysics Data System (ADS)

    Kajiya, Daisuke; Saitow, Ken-ichi

    2013-08-01

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

  5. Thermoelectric Modules Based on Half-Heusler Materials Produced in Large Quantities

    NASA Astrophysics Data System (ADS)

    Bartholomé, Kilian; Balke, Benjamin; Zuckermann, Daniel; Köhne, Martin; Müller, Michael; Tarantik, Karina; König, Jan

    2014-06-01

    Half-Heusler (HH) compounds are some of the most promising candidates among the medium-temperature thermoelectric materials being investigated for automotive and industrial waste heat recovery applications. For n- as well as p-type material, peak ZT values larger than one have been published recently, and first modules have been built. The next step to facilitate the industrialization of thermoelectric module production is upscaling of material synthesis. In this paper, the latest results of the thermoelectric properties of HH compounds produced in kg batches are presented and compared with values published in the literature. The performance of modules built from these materials is analyzed with respect to power output and long-term stability of the material and electrical contacts.

  6. Design of compensated ferrimagnetic Heusler alloys for giant tunable exchange bias.

    PubMed

    Nayak, Ajaya K; Nicklas, Michael; Chadov, Stanislav; Khuntia, Panchanana; Shekhar, Chandra; Kalache, Adel; Baenitz, Michael; Skourski, Yurii; Guduru, Veerendra K; Puri, Alessandro; Zeitler, Uli; Coey, J M D; Felser, Claudia

    2015-07-01

    Rational material design can accelerate the discovery of materials with improved functionalities. This approach can be implemented in Heusler compounds with tunable magnetic sublattices to demonstrate unprecedented magnetic properties. Here, we have designed a family of Heusler alloys with a compensated ferrimagnetic state. In the vicinity of the compensation composition in Mn-Pt-Ga, a giant exchange bias (EB) of more than 3 T and a large coercivity are established. The large exchange anisotropy originates from the exchange interaction between the compensated host and ferrimagnetic clusters that arise from intrinsic anti-site disorder. Our design approach is also demonstrated on a second material with a magnetic transition above room temperature, Mn-Fe-Ga, exemplifying the universality of the concept and the feasibility of room-temperature applications. These findings may lead to the development of magneto-electronic devices and rare-earth-free exchange-biased hard magnets, where the second quadrant magnetization can be stabilized by the exchange bias.

  7. Structural and Thermoelectric Properties of Ternary Full-Heusler Alloys

    NASA Astrophysics Data System (ADS)

    Hayashi, K.; Eguchi, M.; Miyazaki, Y.

    2016-09-01

    The thermoelectric properties of ternary full-Heusler alloys, Co2 YZ, which are in a ferromagnetic state up to high temperature above 300 K, were measured and are discussed in terms of the crystal structure and electronic states. Among the full-Heusler alloys studied, the Co2MnSi sample exhibited the highest absolute value of Seebeck coefficient and also the highest electrical conductivity in the temperature range from 300 K to 1023 K. The highest power factor of 2.9 × 10-3 W/m-K2 was obtained for the Co2MnSi sample at 550 K, demonstrating the potential of half-metallic full-Heusler alloys as thermoelectric materials.

  8. Half-Heusler thermoelectrics: a complex class of materials.

    PubMed

    Bos, Jan-Willem G; Downie, Ruth A

    2014-10-29

    Half-Heusler thermoelectrics first attracted interest in the late-1990s and are currently undergoing a renaissance. This has been driven by improved synthesis, processing and characterisation methods, leading to increases in the thermoelectric figure of merit and the observation of novel phenomena such as carrier filtering in nanocomposite samples. The difficulty in extracting good thermoelectric performance is at first glance surprising given the relative simplicity of the ideal crystal structure with only site occupancies and lattice parameter as crystallographic variables. However, the observed thermoelectric properties are found to depend sensitively on sample processing. Recent work has shown that prepared ingots can contain a range of inhomogeneities, including interstitials, nano- and micron sized Heusler inclusions and multiple half-Heusler phases. For this reason, the prepared materials are far more complex than initially appreciated and this may offer opportunities to enhance the thermoelectric figure of merit.

  9. Efficient spin injector scheme based on Heusler materials.

    PubMed

    Chadov, Stanislav; Graf, Tanja; Chadova, Kristina; Dai, Xuefang; Casper, Frederick; Fecher, Gerhard H; Felser, Claudia

    2011-07-22

    We present a rational design scheme intended to provide stable high spin polarization at the interfaces of the magnetoresistive junctions by fulfilling the criteria of structural and chemical compatibilities at the interface. This can be realized by joining the semiconducting and half-metallic Heusler materials with similar structures. The present first-principles calculations verify that the interface remains half-metallic if the nearest interface layers effectively form a stable Heusler material with the properties intermediately between the surrounding bulk parts. This leads to a simple rule for selecting the proper combinations.

  10. Band-structure-dependent demagnetization in the Heusler alloy Co₂Mn(1-x)FexSi.

    PubMed

    Steil, Daniel; Alebrand, Sabine; Roth, Tobias; Krauss, Michael; Kubota, Takahide; Oogane, Mikihiko; Ando, Yasuo; Schneider, Hans Christian; Aeschlimann, Martin; Cinchetti, Mirko

    2010-11-19

    We investigate the ultrafast demagnetization for two Heusler alloys (Co₂Mn(1-x)FexSi) with a different lineup of the minority band gap and the Fermi level. Even though electronic spin-flip transitions are partially blocked by the band gap in one compound, the respective magnetization dynamics, as measured by the time-resolved Kerr effect, are remarkably similar. Based on a dynamical model that includes momentum and spin-dependent carrier scattering, we show that the magnetization dynamics are dominated by hole spin-flip processes, which are not influenced by the gap.

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

    SciTech Connect

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

    2014-05-07

    Various full Heusler alloys are interfaced with MgO and the magnetic properties of the Heusler-MgO junctions are studied. Next to MgO, the cubic Heusler system distorts to a tetragonal one, thereby inducing an anisotropy. The half-metallicity and nature of anisotropy (in-plane or perpendicular) in the Heusler-MgO system is governed mostly by the interface Heusler layers. There is a trend that Mn-O bonding near the MgO-Heusler junction results in perpendicular anisotropy. The ability to remain half-metallic and have perpendicular anisotropy makes some of these alloys potential candidates as free-layers in Spin Transfer Torque Random Access Memory (STT-RAM) devices, particularly, Cr{sub 2}MnAs-MgO system with MnAs interface layers and Co{sub 2}MnSi-MgO system with Mn{sub 2} interface layers.

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

    NASA Astrophysics Data System (ADS)

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

    2014-05-01

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

  13. Unusual electronic transport properties in doped TiCoSb Half-Heusler Alloys*

    NASA Astrophysics Data System (ADS)

    Xia, Y.; Bhattacharya, S.; Ponnambalam, V.; Poon, S. J.; Pope, A. L.; Tritt, T. M.

    1999-11-01

    The sublattices of semiconducting TiCoSb Half-Heusler alloys are systematically doped and the resulting electrical transport properties are investigated. While all three sites can be doped to result in semimetallic behavior, transport behavior that can be ascribed to the presence of mobility edge and impurity band are observed in the vanadium- and manganese- doped alloys. Resistivity values reaching several W-cm and several hundred W-cm at 295K and 4.2K, respectively, are observed. Properties such as these have not been reported previously for a metal-rich bandgap compound. Specific heat measurements also indicate anomalous results at low temperature. Hall effect and thermopower measurements will be discussed.

  14. Topological RPdBi half-Heusler semimetals: A new family of noncentrosymmetric magnetic superconductors.

    PubMed

    Nakajima, Yasuyuki; Hu, Rongwei; Kirshenbaum, Kevin; Hughes, Alex; Syers, Paul; Wang, Xiangfeng; Wang, Kefeng; Wang, Renxiong; Saha, Shanta R; Pratt, Daniel; Lynn, Jeffrey W; Paglione, Johnpierre

    2015-06-01

    We report superconductivity and magnetism in a new family of topological semimetals, the ternary half-Heusler compound RPdBi (R: rare earth). In this series, tuning of the rare earth f-electron component allows for simultaneous control of both lattice density via lanthanide contraction and the strength of magnetic interaction via de Gennes scaling, allowing for a unique tuning of the normal-state band inversion strength, superconducting pairing, and magnetically ordered ground states. Antiferromagnetism with ordering vector (½,½,½) occurs below a Néel temperature that scales with de Gennes factor dG, whereas a superconducting transition is simultaneously supressed with increasing dG. With superconductivity appearing in a system with noncentrosymmetric crystallographic symmetry, the possibility of spin-triplet Cooper pairing with nontrivial topology analogous to that predicted for the normal-state electronic structure provides a unique and rich opportunity to realize both predicted and new exotic excitations in topological materials.

  15. Quasiparticle band structure of the almost-gapless transition-metal-based Heusler semiconductors

    NASA Astrophysics Data System (ADS)

    Tas, M.; Şaşıoǧlu, E.; Galanakis, I.; Friedrich, C.; Blügel, S.

    2016-05-01

    Transition-metal-based Heusler semiconductors are promising materials for a variety of applications ranging from spintronics to thermoelectricity. Employing the G W approximation within the framework of the FLAPW method, we study the quasiparticle band structure of a number of such compounds being almost gapless semiconductors. We find that in contrast to the s p -electron based semiconductors such as Si and GaAs, in these systems, the many-body corrections have a minimal effect on the electronic band structure and the energy band gap increases by less than 0.2 eV, which makes the starting point density functional theory (DFT) a good approximation for the description of electronic and optical properties of these materials. Furthermore, the band gap can be tuned either by the variation of the lattice parameter or by the substitution of the s p -chemical element.

  16. Large low-field positive magnetoresistance in nonmagnetic half-Heusler ScPtBi single crystal

    NASA Astrophysics Data System (ADS)

    Hou, Zhipeng; Wang, Yue; Liu, Enke; Zhang, Hongwei; Wang, Wenhong; Wu, Guangheng

    2015-11-01

    High-quality nonmagnetic half-Heusler ScPtBi single crystals were synthesized by a Bi self-flux method. This compound was revealed to be a hole-dominated semimetal with a large low-field magnetoresistance up to 240% at 2 K in a magnetic field of 1 T. Magneto-transport measurements demonstrated that the large low-field magnetoresistance effect resulted from the coexistence of field-induced metal-semiconductor transition and weak-antilocalization effect. Moreover, Hall measurements indicated that ScPtBi single crystal showed a high mobility over a wide temperature region even up to room temperature (4050 cm2V-1s-1 at 2 K-2016 cm2V-1s-1 at 300 K). These findings not only suggest the nonmagnetic ScPtBi semimetal a potential material candidate for applications in high-sensitivity magnetic sensors but also are of great significance to comprehensively understand the rare-earth based half-Heusler compounds.

  17. Structural, electronic and magnetic properties of Fe2-based full Heusler alloys: A first principle study

    NASA Astrophysics Data System (ADS)

    Dahmane, F.; Mogulkoc, Y.; Doumi, B.; Tadjer, A.; Khenata, R.; Bin Omran, S.; Rai, D. P.; Murtaza, G.; Varshney, Dinesh

    2016-06-01

    Using the first-principles density functional calculations, the structural, electronic and magnetic properties of the Fe2XAl (X=Cr, Mn, Ni) compounds in both the Hg2CuTi and Cu2MnAl-type structures were studied by the full-potential linearized augmented plane waves (FP-LAPW) method. The exchange and correlation potential is treated by the generalized-gradient approximation (GGA) where the results show that the Cu2MnAl-type structure is energetically more stable than the Hg2CuTi-type structure for the Fe2CrAl and Fe2MnAl compounds at the equilibrium volume. The full Heusler compounds Fe2XAl (X=Cr, Mn) are half-metallic in the Cu2MnAl-type structure. Fe2NiAl has a metallic character in both CuHg2Ti and AlCu2Mn-type structures. The total magnetic moments of the Fe2CrAl and Fe2MnAl compounds are 1.0 and 2.0 μB, respectively, which are in agreement with the Slater-Pauling rule Mtot=Ztot- 24.

  18. Finding Unprecedentedly Low-Thermal-Conductivity Half-Heusler Semiconductors via High-Throughput Materials Modeling

    NASA Astrophysics Data System (ADS)

    Carrete, Jesús; Li, Wu; Mingo, Natalio; Wang, Shidong; Curtarolo, Stefano

    2014-02-01

    The lattice thermal conductivity (κω) is a key property for many potential applications of compounds. Discovery of materials with very low or high κω remains an experimental challenge due to high costs and time-consuming synthesis procedures. High-throughput computational prescreening is a valuable approach for significantly reducing the set of candidate compounds. In this article, we introduce efficient methods for reliably estimating the bulk κω for a large number of compounds. The algorithms are based on a combination of machine-learning algorithms, physical insights, and automatic ab initio calculations. We scanned approximately 79,000 half-Heusler entries in the AFLOWLIB.org database. Among the 450 mechanically stable ordered semiconductors identified, we find that κω spans more than 2 orders of magnitude—a much larger range than that previously thought. κω is lowest for compounds whose elements in equivalent positions have large atomic radii. We then perform a thorough screening of thermodynamical stability that allows us to reduce the list to 75 systems. We then provide a quantitative estimate of κω for this selected range of systems. Three semiconductors having κω<5 Wm-1 K-1 are proposed for further experimental study.

  19. Role of structural defects on the half-metallic character of Heusler alloys and their junctions with Ge and GaAs

    NASA Astrophysics Data System (ADS)

    Picozzi, Silvia; Continenza, Alessandra; Freeman, Arthur J.

    2003-03-01

    Heusler-alloys, such as Co_2MnGe and Co_2MnSi, have been predicted from first-principles calculations to be half-metallic and have recently attracted great attention for spin-injection purposes. However, spin polarizations of only 50%-60% were experimentally obtained for Heusler thin films(M.P.Raphael et al.), Phys. Rev. B 66, 104429 (2002); B.Ravel et al., Appl. Phys. Lett. 81, 2812 (2002) - a decrease attributed to defects in the Mn and Co sublattices. We performed ab-initio FLAPW(E.Wimmer, H.Krakauer, M.Weinert, A.J.Freeman, Phys. Rev. B 24, 864 (1981)) calculations in order to determine the effects of several types of defects (Co and Mn antisites, vacancies, etc.) on the electronic and magnetic properties of the bulk Heusler compounds and their interfaces with Ge and GaAs. We analyze the results in terms of spatial and energy behavior of the defect- and interface-induced states. Our findings show that Co-antisites have low formation energies and locally destroy half-metallicity; the defect states are spatially localized and are screened out in a couple of atomic shells.

  20. Ternary Phases (Heusler) in the System Ti-Co-Sn

    NASA Astrophysics Data System (ADS)

    Kosinskiy, Andrey; Karlsen, Ole Bjørn; Sørby, Magnus H.; Prytz, Øystein

    2016-09-01

    Some of the Heusler-phases (XY 2 Z and XYZ) are known to have large homogeneity ranges which can be useful for tuning material properties. In this work, we have revised the isothermal section of the Ti-Co-Sn system at 973 K (700 °C). A total of 29 ternary compositions, mostly in the regions TiCo2-x Sn for 0 ≤ x ≤ 1 and Ti1+y Co2Sn1-y for 0 ≤ y ≤ 1, were prepared by arc-melting, then ball-milled and annealed. The resulting annealed powder samples were studied by applying the Rietveld method to X-ray and neutron powder diffraction data. Half-Heusler TiCoSn was not observed. The Heusler phase observed in TiCo2-x Sn has compositions ranging from TiCo1.52Sn to TiCo2Sn and has the half-Heusler structure where the excess of Co is located on the semi-filled tetrahedral site 4d (¾, ¾, ¾) in the space group F-43m. At 1273 K (1000 °C), this solid solubility is expanded from TiCo2Sn to TiCo with full solid solubility where Ti is gradually replacing Sn (Ti1+y Co2Sn1-y for 0 ≤ y ≤ 1), while at 973 K (700 °C) there is a small solubility gap for 0.0 ≤ y ≤ 0.2.

  1. First principle study of a new half-metallic ferrimagnetic full-Heusler alloy Ti2VPb

    NASA Astrophysics Data System (ADS)

    Hamri, Bouabdallah; Hamri, Abdelkrim; Hamri, Aida; Hallouche, Abbes; Abbar, Boucif

    2016-04-01

    In this paper, we performed an ab initio calculation of the different properties of the full-Heusler alloy Ti2VPb which is reported for the first time using the WIEN2k implementation of the full potential linearized augmented plane wave (FPLAPW) scheme. In order to study this compound for magneto-electronic applications we used the generalized gradient approximation (GGA) approximation for its mechanical properties but the MBJ-GGA to better investigate the electronic properties. Our results show that the Ti2VPb compound exhibits half-metallicity at its equilibrium lattice 6.548 Å but a metallic character would occur with an expansion of its lattice parameters to 6.85 Å.

  2. Substitution effect on magnetic and electrical properties of half-Heusler alloy Ni{sub 1−x}Co{sub x}Mn{sub 1−y}Fe{sub y}Sb

    SciTech Connect

    Kushwaha, Varun Sharma, Himanshu Dixit, Dinesh Tomy, C. V.; Tulapurkar, Ashwin

    2014-04-24

    We have studied the effects of Co and Fe doping on the magnetic and electrical properties of half-Heusler compound NiMnSb. The alloys were prepared by arc-melting method in the presence of Argon gas. The powder X-ray diffraction of the each alloy was performed in air at room temperature. The magnetic and electrical properties were performed in the temperature range 2–400 K and in magnetic field up to 1 T.

  3. Enhanced thermoelectric performance in the p-type half-Heusler (Ti/Zr/Hf)CoSb0.8Sn0.2 system via phase separation.

    PubMed

    Rausch, Elisabeth; Balke, Benjamin; Ouardi, Siham; Felser, Claudia

    2014-12-14

    A novel approach for optimization of the thermoelectric properties of p-type Heusler compounds with a C1b structure was investigated. A successful recipe for achieving intrinsic phase separation in the n-type material based on the TiNiSn system is isoelectronic partial substitution of Ti with its heavier homologues Zr and Hf. We applied this concept to the p-type system MCoSb0.8Sn0.2 by a systematic investigation of samples with different compositions at the Ti position (M = Ti, Zr, Hf, Ti0.5Zr0.5, Zr0.5Hf0.5, and Ti0.5Hf0.5). We thus achieved an approximately 40% reduction of the thermal conductivity and a maximum figure of merit ZT of 0.9 at 700 °C. This is a 80% improvement in peak ZT from 0.5 to 0.9 at 700 °C compared to the best published value of an ingot p-type half-Heusler compound. Thus far, comparable good thermoelectric p-type materials of this structure type have only been realized by a nanostructuring process via ball milling of premelted ingot samples followed by a rapid consolidation method, like hot pressing. The herein-presented simple arc-melting fabrication method reduces the fabrication time as compared to this multi-step nanostructuring process. The high mechanical stability of the Heusler compounds is favorable for the construction of thermoelectric modules. The Vickers hardness values are close to those of the n-type material, leading to good co-processability of both materials.

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

    NASA Astrophysics Data System (ADS)

    Bainsla, Lakhan; Suresh, K. G.

    2016-09-01

    Half-metallic ferromagnetic (HMF) materials show high spin polarization and are therefore interesting to researchers due to their possible applications in spintronic devices. In these materials, while one spin sub band has a finite density of states at the Fermi level, the other sub band has a gap. Because of their high Curie temperature (TC) and tunable electronic structure, HMF Heusler alloys have a special importance among the HMF materials. Full Heusler alloys with the stoichiometric composition X2YZ (where X and Y are the transition metals and Z is a sp element) have the cubic L21 structure with four interpenetrating fcc sublattices. When each of these four fcc sublattices is occupied by different atoms (XX'YZ), a quaternary Heusler structure with different structural symmetries (space group F-43m, #216) is obtained. Recently, these equiatomic quaternary Heusler alloys (EQHAs) with 1:1:1:1 stoichiometry have attracted a lot of attention due to their superior magnetic and transport properties. A special class of HMF materials identified recently is known as spin gapless semiconductors (SGS). The difference in this case, compared with HMFs, is that the density of states for one spin band is just zero at the Fermi level, while the other has a gap as in the case of HMFs. Some of the reported SGS materials belong to EQHAs family. This review is dedicated to almost all reported materials belonging to EQHAs family. The electronic structure and hence the physical properties of Heusler alloys strongly depend on the degree of structural order and distribution of the atoms in the crystal lattice. A variety of experimental techniques has been used to probe the structural parameters and degree of order in these alloys. Their magnetic properties have been investigated using the conventional methods, while the spin polarization has been probed by point contact Andreev reflection technique. The experimentally obtained values of saturation magnetization are found to be in

  5. Large noncollinearity and spin reorientation in the novel Mn2RhSn Heusler magnet.

    PubMed

    Meshcheriakova, O; Chadov, S; Nayak, A K; Rößler, U K; Kübler, J; André, G; Tsirlin, A A; Kiss, J; Hausdorf, S; Kalache, A; Schnelle, W; Nicklas, M; Felser, C

    2014-08-22

    Noncollinear magnets provide essential ingredients for the next generation memory technology. It is a new prospect for the Heusler materials, already well known due to the diverse range of other fundamental characteristics. Here, we present a combined experimental and theoretical study of novel noncollinear tetragonal Mn(2)RhSn Heusler material exhibiting unusually strong canting of its magnetic sublattices. It undergoes a spin-reorientation transition, induced by a temperature change and suppressed by an external magnetic field. Because of the presence of Dzyaloshinskii-Moriya exchange and magnetic anisotropy, Mn(2)RhSn is suggested to be a promising candidate for realizing the Skyrmion state in the Heusler family.

  6. Perpendicular Magnetic Anisotropy in Co-Based Full Heusler Alloy Thin Films

    NASA Astrophysics Data System (ADS)

    Wu, Y.; Xu, X. G.; Miao, J.; Jiang, Y.

    2015-12-01

    Half-metallic Co-based full Heusler alloys have been qualified as promising functional materials in spintronic devices due to their high spin polarization. The lack of perpendicular magnetic anisotropy (PMA) is one of the biggest obstacles restricting their application in next generation ultrahigh density storage such as magnetic random access memory (MARM). How to induce the PMA in Co-based full Heusler alloy thin films has attracted much research interest of scientists. This paper presents an overview of recent progress in this research area. We hope that this paper would provide some guidance and ideas to develop highly spin-polarized Co-based Heusler alloy thin films with PMA.

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

    PubMed

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

    2013-07-10

    We report comprehensive measurements of the magnetic, transport, and thermal properties of the Heusler-type compound Fe2+xV1-xAl, with x values near the ferromagnetic quantum critical point, xc ∼ 0.05. At T ∼ 60 K, a prominent Schottky-like anomaly appeared in the specific heat; this anomaly was correlated with a smaller pseudo-gap formation in magnetic susceptibility, magnetoresistance, and thermoelectric power. Furthermore, a magnetic anomaly observed in the magnetic susceptibility and resistivity at T ∼ 4 K was suppressed significantly by applying a magnetic field. A magnetically inhomogeneous phase arose below T ∼ 60 K, which appeared to consist of ferromagnetic and paramagnetic clusters.

  8. Tunnel magnetoresistance effect and magnetic damping in half-metallic Heusler alloys.

    PubMed

    Oogane, M; Mizukami, S

    2011-08-13

    Some full-Heusler alloys, such as Co(2)MnSi and Co(2)MnGe, are expected to be half-metallic ferromagnetic material, which has complete spin polarization. They are the most promising materials for realizing half-metallicity at room temperature owing to their high Curie temperature. We demonstrate a huge tunnel magnetoresistance effect in a magnetic tunnel junction using a Co(2)MnSi Heusler alloy electrode. This result proves high spin polarization of the Heusler alloy. We also demonstrate a small magnetic damping constant in Co(2)FeAl epitaxial film. The very high spin polarization and small magnetic constant of Heusler alloys will be a great advantage for future spintronic device applications.

  9. Realization of multifunctional shape-memory ferromagnets in all-d-metal Heusler phases

    SciTech Connect

    Wei, Z. Y.; Liu, E. K. Chen, J. H.; Xi, X. K.; Zhang, H. W.; Wang, W. H.; Wu, G. H.; Li, Y.; Liu, G. D.; Luo, H. Z.

    2015-07-13

    Heusler ferromagnetic shape-memory alloys (FSMAs) normally consist of transition-group d-metals and main-group p-elements. Here, we report the realization of FSMAs in Heusler phases that completely consist of d metals. By introducing the d-metal Ti into NiMn alloys, cubic B2-type Heusler phase is obtained and the martensitic transformation temperature is decreased efficiently. Strong ferromagnetism is established by further doping Co atoms into the B2-type antiferromagnetic Ni-Mn-Ti austenite. Based on the magnetic-field-induced martensitic transformations, collective multifunctional properties are observed in Ni(Co)-Mn-Ti alloys. The d metals not only facilitate the formation of B2-type Heusler phases but also establish strong ferromagnetic coupling and offer the possibility to tune the martensitic transformation.

  10. Large Magnetization and Reversible Magnetocaloric Effect at the Second-Order Magnetic Transition in Heusler Materials.

    PubMed

    Singh, Sanjay; Caron, Luana; D'Souza, Sunil Wilfred; Fichtner, Tina; Porcari, Giacomo; Fabbrici, Simone; Shekhar, Chandra; Chadov, Stanislav; Solzi, Massimo; Felser, Claudia

    2016-05-01

    In contrast to rare-earth-based materials, cheaper and more environmentally friendly candidates for cooling applications are found within the family of Ni-Mn Heusler alloys. Initial interest in these materials is focused on the first-order magnetostructural transitions. However, large hysteresis makes a magnetocaloric cycle irreversible. Alternatively, here it is shown how the Heusler family can be used to optimize reversible second-order magnetic phase transitions for magnetocaloric applications. PMID:26928954

  11. Large Magnetization and Reversible Magnetocaloric Effect at the Second-Order Magnetic Transition in Heusler Materials.

    PubMed

    Singh, Sanjay; Caron, Luana; D'Souza, Sunil Wilfred; Fichtner, Tina; Porcari, Giacomo; Fabbrici, Simone; Shekhar, Chandra; Chadov, Stanislav; Solzi, Massimo; Felser, Claudia

    2016-05-01

    In contrast to rare-earth-based materials, cheaper and more environmentally friendly candidates for cooling applications are found within the family of Ni-Mn Heusler alloys. Initial interest in these materials is focused on the first-order magnetostructural transitions. However, large hysteresis makes a magnetocaloric cycle irreversible. Alternatively, here it is shown how the Heusler family can be used to optimize reversible second-order magnetic phase transitions for magnetocaloric applications.

  12. Micromagnetic analysis of Heusler alloy-based perpendicular double barrier synthetic antiferromagnetic free layer MTJs

    NASA Astrophysics Data System (ADS)

    Ghosh, Bahniman; Dwivedi, Kshitij

    2015-07-01

    We investigate spin transfer torque switching in a perpendicular double barrier synthetic antiferromagnetic free layer MTJ stack using micromagnetic simulations. For the material used in free layers, we use two different Cobalt-based Heusler alloys and compare their performance on the basis of switching speed, thermal stability and Tunnel magnetoresistance. We show that for Heusler alloys switching from one state to other is significantly faster but they suffer from the drawback of low thermal stability.

  13. Half-metallic properties of the new Ti2YPb(Y = Co, Fe) Heusler alloys

    NASA Astrophysics Data System (ADS)

    Hussain, Moaid K.; Gao, G. Y.; Yao, Kai-Lun

    2015-09-01

    The half-metallic properties of Ti2YPb(Y = Co, Fe) Heusler alloys with a CuHg2Ti-type structure were examined within the frame of the density functional theory and the Perdew-Burke-Ernzerh of generalized gradient approximation (GGA). Analysis of the electronic band structures and density of states for Ti2YPb(Y = Co, Fe) revealed that the spin-up bands are metallic, whereas the spin-down bands exhibit gaps of 0.73 and 0.70 eV, respectively. The magnetic moments calculated for the Ti2YPb(Y = Co, Fe) alloys were found to be equal to 3 μB/f.u. and 2 μB/f.u., values which both follows the Slater-Pauling rule of Mt = Zt - 18. The compounds’ negative enthalpy values should encourage their experimental realization in the future. The bandgap was elucidated to be mainly determined by the bonding and antibonding states created from the hybridizations of the d states between the Ti(1)-Ti(2) coupling and the Y = Co, Fe atom. The half-metallic properties of the Ti2YPb(Y = Co, Fe) compounds were found to be insensitive to lattice distortion, with full spin polarization achievable within a large range of lattice parameter values, making the alloys suitable for use in practical applications.

  14. Effect of disorder on electronic and magnetic properties of Co{sub 2}VGa Heusler alloy

    SciTech Connect

    Seema, K.; Kumar, Ranjan

    2015-08-28

    This paper presents the effect of disorder on electronic, magnetic and half-metallic properties of Co{sub 2}VGa Heusler alloy using density functional theory. Binary mixing is the most common form of atomic disorder in these compounds. We have considered three types of disorders: DO{sub 3}, A2 and B2 disorder which corresponds to X-Y, X-Z and Y-Z mixing respectively. After structural optimization, we found that A2 disorder has high formation energy and is most unlikely to occur. The half-metallic nature of the alloy is destroyed in presence of DO{sub 3} and A2 disorder. The destruction of half-metallicity is due to reconstruction of energy states. Also the loss of half-metallicity is accompanied by reversal of spin-polarization at the Fermi level. B2 disorder retains the half-metallic nature of the alloy but spin-polarization value is reduced as compared to the ordered alloy.

  15. Composition induced metal-insulator quantum phase transition in the Heusler type Fe2VAl

    NASA Astrophysics Data System (ADS)

    Naka, Takashi; Nikitin, Artem M.; Pan, Yu; de Visser, Anne; Nakane, Takayuki; Ishikawa, Fumihiro; Yamada, Yuh; Imai, Motoharu; Matsushita, Akiyuki

    2016-07-01

    We report the magnetism and transport properties of the Heusler compound Fe2+x V1-x Al at  -0.10  ⩽  x  ⩽  0.20 under pressure and a magnetic field. A metal-insulator quantum phase transition occurred at x  ≈  -0.05. Application of pressure or a magnetic field facilitated the emergence of finite zero-temperature conductivity σ 0 around the critical point, which scaled approximately according to the power law (P  -  P c ) γ . At x  ⩽  -0.05, a localized paramagnetic spin appeared, whereas above the ferromagnetic quantum critical point at x  ≈  0.05, itinerant ferromagnetism was established. At the quantum critical points at x  =  -0.05 and 0.05, the resistivity and specific heat exhibited singularities characteristic of a Griffiths phase appearing as an inhomogeneous electronic state.

  16. Topological RPdBi half-Heusler semimetals: A new family of noncentrosymmetric magnetic superconductors

    PubMed Central

    Nakajima, Yasuyuki; Hu, Rongwei; Kirshenbaum, Kevin; Hughes, Alex; Syers, Paul; Wang, Xiangfeng; Wang, Kefeng; Wang, Renxiong; Saha, Shanta R.; Pratt, Daniel; Lynn, Jeffrey W.; Paglione, Johnpierre

    2015-01-01

    We report superconductivity and magnetism in a new family of topological semimetals, the ternary half-Heusler compound RPdBi (R: rare earth). In this series, tuning of the rare earth f-electron component allows for simultaneous control of both lattice density via lanthanide contraction and the strength of magnetic interaction via de Gennes scaling, allowing for a unique tuning of the normal-state band inversion strength, superconducting pairing, and magnetically ordered ground states. Antiferromagnetism with ordering vector (½,½,½) occurs below a Néel temperature that scales with de Gennes factor dG, whereas a superconducting transition is simultaneously supressed with increasing dG. With superconductivity appearing in a system with noncentrosymmetric crystallographic symmetry, the possibility of spin-triplet Cooper pairing with nontrivial topology analogous to that predicted for the normal-state electronic structure provides a unique and rich opportunity to realize both predicted and new exotic excitations in topological materials. PMID:26601201

  17. Composition induced metal-insulator quantum phase transition in the Heusler type Fe2VAl.

    PubMed

    Naka, Takashi; Nikitin, Artem M; Pan, Yu; de Visser, Anne; Nakane, Takayuki; Ishikawa, Fumihiro; Yamada, Yuh; Imai, Motoharu; Matsushita, Akiyuki

    2016-07-20

    We report the magnetism and transport properties of the Heusler compound Fe2+x V1-x Al at  -0.10  ⩽  x  ⩽  0.20 under pressure and a magnetic field. A metal-insulator quantum phase transition occurred at x  ≈  -0.05. Application of pressure or a magnetic field facilitated the emergence of finite zero-temperature conductivity σ 0 around the critical point, which scaled approximately according to the power law (P  -  P c ) (γ) . At x  ⩽  -0.05, a localized paramagnetic spin appeared, whereas above the ferromagnetic quantum critical point at x  ≈  0.05, itinerant ferromagnetism was established. At the quantum critical points at x  =  -0.05 and 0.05, the resistivity and specific heat exhibited singularities characteristic of a Griffiths phase appearing as an inhomogeneous electronic state.

  18. Topological RPdBi half-Heusler semimetals: A new family of noncentrosymmetric magnetic superconductors.

    PubMed

    Nakajima, Yasuyuki; Hu, Rongwei; Kirshenbaum, Kevin; Hughes, Alex; Syers, Paul; Wang, Xiangfeng; Wang, Kefeng; Wang, Renxiong; Saha, Shanta R; Pratt, Daniel; Lynn, Jeffrey W; Paglione, Johnpierre

    2015-06-01

    We report superconductivity and magnetism in a new family of topological semimetals, the ternary half-Heusler compound RPdBi (R: rare earth). In this series, tuning of the rare earth f-electron component allows for simultaneous control of both lattice density via lanthanide contraction and the strength of magnetic interaction via de Gennes scaling, allowing for a unique tuning of the normal-state band inversion strength, superconducting pairing, and magnetically ordered ground states. Antiferromagnetism with ordering vector (½,½,½) occurs below a Néel temperature that scales with de Gennes factor dG, whereas a superconducting transition is simultaneously supressed with increasing dG. With superconductivity appearing in a system with noncentrosymmetric crystallographic symmetry, the possibility of spin-triplet Cooper pairing with nontrivial topology analogous to that predicted for the normal-state electronic structure provides a unique and rich opportunity to realize both predicted and new exotic excitations in topological materials. PMID:26601201

  19. Composition induced metal–insulator quantum phase transition in the Heusler type Fe2VAl

    NASA Astrophysics Data System (ADS)

    Naka, Takashi; Nikitin, Artem M.; Pan, Yu; de Visser, Anne; Nakane, Takayuki; Ishikawa, Fumihiro; Yamada, Yuh; Imai, Motoharu; Matsushita, Akiyuki

    2016-07-01

    We report the magnetism and transport properties of the Heusler compound Fe2+x V1‑x Al at  ‑0.10  ⩽  x  ⩽  0.20 under pressure and a magnetic field. A metal–insulator quantum phase transition occurred at x  ≈  ‑0.05. Application of pressure or a magnetic field facilitated the emergence of finite zero-temperature conductivity σ 0 around the critical point, which scaled approximately according to the power law (P  ‑  P c ) γ . At x  ⩽  ‑0.05, a localized paramagnetic spin appeared, whereas above the ferromagnetic quantum critical point at x  ≈  0.05, itinerant ferromagnetism was established. At the quantum critical points at x  =  ‑0.05 and 0.05, the resistivity and specific heat exhibited singularities characteristic of a Griffiths phase appearing as an inhomogeneous electronic state.

  20. Enhancing thermopower and hole mobility in bulk p-type half-Heuslers using full-Heusler nanostructures.

    PubMed

    Sahoo, Pranati; Liu, Yuanfeng; Makongo, Julien P A; Su, Xian-Li; Kim, Sung Joo; Takas, Nathan; Chi, Hang; Uher, Ctirad; Pan, Xiaoqing; Poudeu, Pierre F P

    2013-10-01

    The concept of band structure engineering near the Fermi level through atomic-scale alteration of a bulk semiconductor crystal structure using coherently embedded intrinsic semiconducting quantum dots provides a unique opportunity to manipulate the transport behavior of the existing ensembles of carriers within the semiconducting matrix. Here we show that in situ growth of coherent nanometer-scale full-Heusler quantum dots (fH-QDs) within the p-type Ti(0.5)Hf(0.5)CoSb(0.9)Sn(0.1) half-Heusler (hH) matrix induces a drastic decrease of the effective hole density within the hH/fH-QD nanocomposites at 300 K followed by a sharp increase with rising temperature. This behavior is associated with the formation of staggered heterojunctions with a valence band (VB) offset energy, ΔE at the hH/fH phase boundaries. The energy barrier (ΔE) discriminates existing holes with respect to their energy by trapping low energy (LE) holes, while promoting the transport of high energy (HE) holes through the VB of the fH-QDs. This "hole culling" results in surprisingly large increases in the mobility and the effective mass of HE holes contributing to electronic conduction. The simultaneous reduction in the density and the increase in the effective mass of holes resulted in large enhancements of the thermopower whereas; the increase in the mobility minimizes the drop in the electrical conductivity.

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

    NASA Astrophysics Data System (ADS)

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

    2016-08-01

    The structural, electronic, and magnetic properties of CoFeCrX (X = Si, Ge) Heusler alloys have been investigated. Experimentally, the alloys were synthesized in the cubic L21 structure with small disorder. The cubic phase of CoFeCrSi was found to be highly stable against heat treatment, but CoFeCrGe disintegrated into other new compounds when the temperature reached 402 °C (675 K). Although the first-principle calculation predicted the possibility of tetragonal phase in CoFeCrGe, the tetragonal phase could not be stabilized experimentally. Both CoFeCrSi and CoFeCrGe compounds showed ferrimagnetic spin order at room temperature and have Curie temperatures (TC) significantly above room temperature. The measured TC for CoFeCrSi is 790 K but that of CoFeCrGe could not be measured due to its dissociation into new compounds at 675 K. The saturation magnetizations of CoFeCrSi and CoFeCrGe are 2.82 μB/f.u. and 2.78 μB/f.u., respectively, which are close to the theoretically predicted value of 3 μB/f.u. for their half-metallic phases. The calculated band gaps for CoFeCrSi and CoFeCrGe are, respectively, 1 eV and 0.5 eV. These materials have potential for spintronic device applications, as they exhibit half-metallic electronic structures with large band gaps, and Curie temperatures significantly above room temperature.

  2. Growth and transport properties of epitaxial lattice matched half Heusler CoTiSb/InAlAs/InP(001) heterostructures

    SciTech Connect

    Kawasaki, Jason K.; Johansson, Linda I. M.; Schultz, Brian D.; Palmstrøm, Chris J.

    2014-01-13

    We demonstrate the integration of the lattice matched single crystal epitaxial Half Heusler compound CoTiSb with In{sub 0.52}Al{sub 0.48}As/InP(001) heterostructures using molecular beam epitaxy. CoTiSb belongs to the subset of Half Heusler compounds that is expected to be semiconducting, despite being composed entirely of metallic constituents. The lattice matching and epitaxial alignment of the CoTiSb films were confirmed by reflection high energy electron diffraction and X-ray diffraction. Temperature dependent transport measurements indicate semiconducting-like behavior, with a room temperature Hall mobility of 530 cm{sup 2}/Vs and background Hall carrier density of 9.0 × 10{sup 17} cm{sup −3}, which is comparable to n-Si with similar carrier density. Below 100 K, the films show a large negative magnetoresistance, and possible origins of this negative magnetoresistance are discussed.

  3. Ru9Zn7Sb8: a structure with a 2 × 2 × 2 supercell of the half-Heusler phase.

    PubMed

    Xiong, Ding-Bang; Zhao, Yufeng; Okamoto, Norihiko L; Pietzonka, Clemens; Waki, Takeshi; Inui, Haruyuki

    2010-11-15

    The title compound Ru(9)Zn(7)Sb(8) was synthesized via a high-temperature reaction from the elements in a stoichiometric ratio, and its structure was solved by a single-crystal X-ray diffraction method. The structure [cubic, space group Fm3m, Pearson symbol cF96, a = 11.9062(14) Å (293 K), and Z = 4] adopts a unique 2a(hh) × 2a(hh) × 2a(hh) supercell of a normal half-Heusler phase and shows abnormal features of atomic coordination against the Pauling rule. The formation of this superstructure was discussed in light of the valence electron concentration per unit cell. It is a metallic conductor [ρ(300 K) = 16 μΩ·m], and differential scanning calorimetry revealed that Ru(9)Zn(7)Sb(8) undergoes a transformation at 1356(1) K and melts, by all indications, congruently at 1386 K. At room temperature, its thermal conductivity is about 3 W/m·K, which is only one-quarter of that of most normal half-Heusler phases. Ru(9)Zn(7)Sb(8) as well as its analogues of iron-, cobalt-, rhodium-, and iridium-containing compounds are expected to serve as a new structure type for exploring new thermoelectric materials.

  4. Lattice thermal conductivity of nanograined half-Heusler solid solutions

    NASA Astrophysics Data System (ADS)

    Geng, Huiyuan; Meng, Xianfu; Zhang, Hao; Zhang, Jian

    2014-05-01

    We report a phenomenological model of atomic weight, lattice constant, temperature, and grain size to calculate the high-temperature lattice thermal conductivity of nanograined solid solutions. The theoretical treatment developed here is reasonably consistent with the experimental results of n-type MNiSn and p-type MCoSb alloys, where M is the combination of Hf, Zr, and Ti. For disordered half-Heusler alloys with moderated grain sizes, we predict that the reduction in lattice thermal conductivity due to grain boundary scattering is independent of the scattering parameter, which characterizes the phonon scattering cross section of point defects. In addition, the lattice thermal conductivity falls off with temperature as T-1/2 around the Debye temperature.

  5. Lattice thermal conductivity of nanograined half-Heusler solid solutions

    SciTech Connect

    Geng, Huiyuan Meng, Xianfu; Zhang, Hao; Zhang, Jian

    2014-05-19

    We report a phenomenological model of atomic weight, lattice constant, temperature, and grain size to calculate the high-temperature lattice thermal conductivity of nanograined solid solutions. The theoretical treatment developed here is reasonably consistent with the experimental results of n-type MNiSn and p-type MCoSb alloys, where M is the combination of Hf, Zr, and Ti. For disordered half-Heusler alloys with moderated grain sizes, we predict that the reduction in lattice thermal conductivity due to grain boundary scattering is independent of the scattering parameter, which characterizes the phonon scattering cross section of point defects. In addition, the lattice thermal conductivity falls off with temperature as T{sup –1∕2} around the Debye temperature.

  6. Large anisotropic magnetoresistance of ruthenium-based Heusler alloys

    NASA Astrophysics Data System (ADS)

    Mizusaki, S.; Ohnishi, T.; Douzono, A.; Nagata, Y.; Ozawa, T. C.; Samata, H.; Noro, Y.

    2009-04-01

    Anomalous magnetic behavior was found in the polycrystalline Heusler alloy system Ru2Mn1-xFexGe. Samples of x =0 and 1.0 show no magnetoresistance (MR); however, the anisotropic MR effect is observed for x =0.5 (MR ratios of -4% and +2% are observed under parallel and perpendicular configurations of applied field and applied current, respectively). Moreover, magnetic measurement revealed that the sample of x =0 is antiferromagnetic, whereas the samples of x =0.5 and 1.0 are ferromagnetic with Curie temperatures of 270 and 490 K, respectively. The saturation magnetization and coercivity at 5 K are 3.1μB/f.u. and negligibly small for x =1.0 and 1.8μB/f.u. and 0.1 T for x =0.5, respectively. The MR effect is explained by a model in which antiferromagnetic and ferromagnetic domains coexist.

  7. Fully epitaxial C1b-type NiMnSb half-Heusler alloy films for current-perpendicular-to-plane giant magnetoresistance devices with a Ag spacer.

    PubMed

    Wen, Zhenchao; Kubota, Takahide; Yamamoto, Tatsuya; Takanashi, Koki

    2015-01-01

    Remarkable magnetic and spin-dependent transport properties arise from well-designed spintronic materials and heterostructures. Half-metallic Heusler alloys with high spin polarization exhibit properties that are particularly advantageous for the development of high-performance spintronic devices. Here, we report fully (001)-epitaxial growth of a high-quality half-metallic NiMnSb half-Heusler alloy films, and their application to current-perpendicular-to-plane giant magnetoresistance (CPP-GMR) devices with Ag spacer layers. Fully (001)-oriented NiMnSb epitaxial films with very flat surface and high magnetization were prepared on Cr/Ag-buffered MgO(001) single crystalline substrates by changing the substrate temperature. Epitaxial CPP-GMR devices using the NiMnSb films and a Ag spacer were fabricated, and room-temperature (RT) CPP-GMR ratios for the C1b-type half-Heusler alloy were determined for the first time. A CPP-GMR ratio of 8% (21%) at RT (4.2 K) was achieved in the fully epitaxial NiMnSb/Ag/NiMnSb structures. Furthermore, negative anisotropic magnetoresistance (AMR) ratio and small discrepancy of the AMR amplitudes between RT and 10 K were observed in a single epitaxial NiMnSb film, indicating robust bulk half metallicity against thermal fluctuation in the half-Heusler compound. The modest CPP-GMR ratios could be attributed to interface effects between NiMnSb and Ag. This work provides a pathway for engineering a new class of ordered alloy materials with particular emphasis on spintronics.

  8. Fully epitaxial C1b-type NiMnSb half-Heusler alloy films for current-perpendicular-to-plane giant magnetoresistance devices with a Ag spacer

    PubMed Central

    Wen, Zhenchao; Kubota, Takahide; Yamamoto, Tatsuya; Takanashi, Koki

    2015-01-01

    Remarkable magnetic and spin-dependent transport properties arise from well-designed spintronic materials and heterostructures. Half-metallic Heusler alloys with high spin polarization exhibit properties that are particularly advantageous for the development of high-performance spintronic devices. Here, we report fully (001)-epitaxial growth of a high-quality half-metallic NiMnSb half-Heusler alloy films, and their application to current-perpendicular-to-plane giant magnetoresistance (CPP-GMR) devices with Ag spacer layers. Fully (001)-oriented NiMnSb epitaxial films with very flat surface and high magnetization were prepared on Cr/Ag-buffered MgO(001) single crystalline substrates by changing the substrate temperature. Epitaxial CPP-GMR devices using the NiMnSb films and a Ag spacer were fabricated, and room-temperature (RT) CPP-GMR ratios for the C1b-type half-Heusler alloy were determined for the first time. A CPP-GMR ratio of 8% (21%) at RT (4.2 K) was achieved in the fully epitaxial NiMnSb/Ag/NiMnSb structures. Furthermore, negative anisotropic magnetoresistance (AMR) ratio and small discrepancy of the AMR amplitudes between RT and 10 K were observed in a single epitaxial NiMnSb film, indicating robust bulk half metallicity against thermal fluctuation in the half-Heusler compound. The modest CPP-GMR ratios could be attributed to interface effects between NiMnSb and Ag. This work provides a pathway for engineering a new class of ordered alloy materials with particular emphasis on spintronics. PMID:26672482

  9. Fully epitaxial C1b-type NiMnSb half-Heusler alloy films for current-perpendicular-to-plane giant magnetoresistance devices with a Ag spacer

    NASA Astrophysics Data System (ADS)

    Wen, Zhenchao; Kubota, Takahide; Yamamoto, Tatsuya; Takanashi, Koki

    2015-12-01

    Remarkable magnetic and spin-dependent transport properties arise from well-designed spintronic materials and heterostructures. Half-metallic Heusler alloys with high spin polarization exhibit properties that are particularly advantageous for the development of high-performance spintronic devices. Here, we report fully (001)-epitaxial growth of a high-quality half-metallic NiMnSb half-Heusler alloy films, and their application to current-perpendicular-to-plane giant magnetoresistance (CPP-GMR) devices with Ag spacer layers. Fully (001)-oriented NiMnSb epitaxial films with very flat surface and high magnetization were prepared on Cr/Ag-buffered MgO(001) single crystalline substrates by changing the substrate temperature. Epitaxial CPP-GMR devices using the NiMnSb films and a Ag spacer were fabricated, and room-temperature (RT) CPP-GMR ratios for the C1b-type half-Heusler alloy were determined for the first time. A CPP-GMR ratio of 8% (21%) at RT (4.2 K) was achieved in the fully epitaxial NiMnSb/Ag/NiMnSb structures. Furthermore, negative anisotropic magnetoresistance (AMR) ratio and small discrepancy of the AMR amplitudes between RT and 10 K were observed in a single epitaxial NiMnSb film, indicating robust bulk half metallicity against thermal fluctuation in the half-Heusler compound. The modest CPP-GMR ratios could be attributed to interface effects between NiMnSb and Ag. This work provides a pathway for engineering a new class of ordered alloy materials with particular emphasis on spintronics.

  10. Nuclear magnetic resonance study of thin Co2FeAl0.5Si0.5 Heusler films with varying thickness

    NASA Astrophysics Data System (ADS)

    Alfonsov, A.; Peters, B.; Yang, F. Y.; Büchner, B.; Wurmehl, S.

    2015-02-01

    Type, degree, and evolution of structural order are important aspects for understanding and controlling the properties of highly spin-polarized Heusler compounds, in particular, with respect to the optimal film growth procedure. In this work, we compare the structural order and the local magnetic properties revealed by nuclear magnetic resonance (NMR) spectroscopy with the macroscopic properties of thin Co2FeAl 0.5Si 0.5 Heusler films with varying thickness. A detailed analysis of the measured NMR spectra presented in this paper enables us to find a very high degree of L 21 -type ordering up to 81% concomitantly with excess Fe of 8%-13% at the expense of Al and Si. We show that the formation of certain types of order depends not only on the thermodynamic phase diagrams as in bulk samples, but also that the kinetic control may contribute to the phase formation in thin films. It is an exciting finding that Co2FeAl 0.5Si 0.5 can form an almost ideal L 21 structure in films, though with a considerable amount of Fe-Al/Si off stoichiometry. Moreover, the very good quality of the films as demonstrated by our NMR study suggests that the technique of off-axis sputtering used to grow the films sets the stage for the optimized performance of Co2FeAl 0.5Si 0.5 in spintronic devices.

  11. Contradictory role of the magnetic contribution in inverse magnetocaloric Heusler materials

    NASA Astrophysics Data System (ADS)

    Gottschall, Tino; Skokov, Konstantin P.; Benke, Dimitri; Gruner, Markus E.; Gutfleisch, Oliver

    2016-05-01

    In this paper, we illustrate the dilemma of inverse magnetocaloric materials using the example of Heusler alloys. For such materials, the magnetic and lattice contribution to the total entropy change are competing with each other. For the two paradigmatic Heusler systems of Ni-Mn-In and Ni-Mn-In-Co, we provide a systematic comparison of experimental data under different magnetic fields and hydrostatic pressures with magnetic and the magnetocaloric properties obtained from the Heisenberg model. This allows us to separate the lattice and the magnetic contribution to the total entropy of the martensitic transition. Our analysis reveals that a large magnetization change is parasitic, but at the same time it is necessary to drive the magnetocaloric effect. This contradicting role of the magnetic contribution—the dilemma—is a general characteristic of inverse magnetocaloric Heusler materials.

  12. Emergence of spin spiral magnetic order in Mn based inverse Heusler alloys.

    PubMed

    Paul, S; Ghosh, S; Sanyal, B

    2014-05-14

    In this article we demonstrate, by first principles density functional calculations, the emergence of spin-spiral magnetic order in Mn₂NiX(X=Al,Ga,In,Sn) inverse Heusler alloys with the application of pressure. This noncollinearity originates from the features in the band structures and the nesting of fermi surfaces of collinear spin bands. The calculated interatomic magnetic exchange parameters suggest that the frustrations in the Mn sublattice with octahedral symmetry are responsible for the stabilization of a noncollinear state. We propose that the pressure induced stabilization of spin-spiral magnetic order is a general feature of magnetic alloys crystallizing in inverse Heusler structures.

  13. Peculiarities of thermoelectric half-Heusler phase formation in Gd-Ni-Sb and Lu-Ni-Sb ternary systems

    NASA Astrophysics Data System (ADS)

    Romaka, V. V.; Romaka, L.; Horyn, A.; Rogl, P.; Stadnyk, Yu; Melnychenko, N.; Orlovskyy, M.; Krayovskyy, V.

    2016-07-01

    The phase equilibria in the Gd-Ni-Sb and Lu-Ni-Sb ternary systems were studied at 873 K by X-ray and metallographic analyses in the whole concentration range. The interaction of the elements in the Gd-Ni-Sb system results the formation of five ternary compounds at investigated temperature: Gd5Ni2Sb (Mo5SiB2-type), Gd5NiSb2 (Yb5Sb3-type), GdNiSb (MgAgAs-type), Gd3Ni6Sb5 (Y3Ni6Sb5-type), and GdNi0.72Sb2 (HfCuSi2-type). At investigated temperature the Lu-Ni-Sb system is characterized by formation of the LuNiSb (MgAgAs-type), Lu5Ni2Sb (Mo5SiB2-type), and Lu5Ni0.56Sb2.44 (Yb5Sb3-type) compounds. The disordering in the crystal structure of half-Heusler GdNiSb and LuNiSb was revealed by EPMA and studied by means of Rietveld refinement and DFT modeling. The performed electronic structure calculations are in good agreement with electrical transport property studies.

  14. Characterization of half-Heusler unicouple for thermoelectric conversion

    NASA Astrophysics Data System (ADS)

    Hu, Xiaokai; Yamamoto, Atsushi; Nagase, Kazuo

    2015-06-01

    A thermoelectric unicouple is constructed with half-Heusler materials for characterizing power generation. The electric power and heat flow are measured simultaneously under various temperature differences, and the efficiencies are calculated. Phase structures and thermoelectric properties are characterized for the p- and n-type legs; the latter are used for finite-element simulations to calculate numerically the ideal electric power, heat flow and efficiency under the same temperature conditions. Seebeck voltage, internal resistance, electric power, heat flow, and efficiency are compared between the measurement and simulation. Thereby, the contact electrical resistance is estimated, and the extra thermal resistance is analyzed in terms of the compared open-circuit voltage and heat flow. The maximum efficiency of 4.0% is attained from the measurement with the hot side at 470 °C, in contrast to 5.7% from the simulation. The simulation permits an investigation on the one-dimensional heat flow through the p- and n-type legs that is coupled with Peltier, Thomson, and Joule heat.

  15. Half-Heusler Alloys for Efficient Thermoelectric Power Conversion

    NASA Astrophysics Data System (ADS)

    Chen, Long; Zeng, Xiaoyu; Tritt, Terry M.; Poon, S. Joseph

    2016-07-01

    Half-Heusler (HH) phases (space group F43m, Clb) are increasingly gaining attention as promising thermoelectric materials in view of their thermal stability and environmental benignity as well as efficient power output. Until recently, the verifiable dimensionless figure of merit (ZT) of HH phases has remained moderate near 1, which limits the power conversion efficiency of these materials. We report herein ZT ˜ 1.3 in n-type (Hf,Zr)NiSn alloys near 850 K developed through elemental substitution and simultaneous embedment of nanoparticles in the HH matrix, obtained by annealing the samples close to their melting temperatures. Introduction of mass fluctuation and scattering centers play a key role in the high ZT measured, as shown by the reduction of thermal conductivity and increase of thermopower. Based on computation, the power conversion efficiency of a n-p couple module based on the new n-type (Hf,Zr,Ti)NiSn particles-in-matrix composite and recently reported high-ZT p-type HH phases is expected to reach 13%, comparable to that of state-of-the-art materials, but with the mentioned additional materials and environmental attributes. Since the high efficiency is obtained without tuning the microstructure of the HH phases, it leaves room for further optimization.

  16. Half-Heusler Alloys for Efficient Thermoelectric Power Conversion

    NASA Astrophysics Data System (ADS)

    Chen, Long; Zeng, Xiaoyu; Tritt, Terry M.; Poon, S. Joseph

    2016-11-01

    Half-Heusler (HH) phases (space group F43m, Clb) are increasingly gaining attention as promising thermoelectric materials in view of their thermal stability and environmental benignity as well as efficient power output. Until recently, the verifiable dimensionless figure of merit ( ZT) of HH phases has remained moderate near 1, which limits the power conversion efficiency of these materials. We report herein ZT ˜ 1.3 in n-type (Hf,Zr)NiSn alloys near 850 K developed through elemental substitution and simultaneous embedment of nanoparticles in the HH matrix, obtained by annealing the samples close to their melting temperatures. Introduction of mass fluctuation and scattering centers play a key role in the high ZT measured, as shown by the reduction of thermal conductivity and increase of thermopower. Based on computation, the power conversion efficiency of a n-p couple module based on the new n-type (Hf,Zr,Ti)NiSn particles-in-matrix composite and recently reported high- ZT p-type HH phases is expected to reach 13%, comparable to that of state-of-the-art materials, but with the mentioned additional materials and environmental attributes. Since the high efficiency is obtained without tuning the microstructure of the HH phases, it leaves room for further optimization.

  17. Artificially engineered Heusler ferrimagnetic superlattice exhibiting perpendicular magnetic anisotropy.

    PubMed

    Ma, Q L; Zhang, X M; Miyazaki, T; Mizukami, S

    2015-01-01

    To extend density limits in magnetic recording industry, two separate strategies were developed to build the storage bit in last decade, introduction of perpendicular magnetic anisotropy (PMA) and adoption of ferrimagnetism/antiferromagnetism. Meanwhile, these properties significantly improve device performance, such as reducing spin-transfer torque energy consumption and decreasing signal-amplitude-loss. However, materials combining PMA and antiferromagnetism rather than transition-metal/rare-earth system were rarely developed. Here, we develop a new type of ferrimagnetic superlattice exhibiting PMA based on abundant Heusler alloy families. The superlattice is formed by [MnGa/Co2FeAl] unit with their magnetizations antiparallel aligned. The effective anisotropy (K(u)(eff)) over 6 Merg/cm(3) is obtained, and the SL can be easily built on various substrates with flexible lattice constants. The coercive force, saturation magnetization and K(u)(eff) of SLs are highly controllable by varying the thickness of MnGa and Co2FeAl layers. The SLs will supply a new choice for magnetic recording and spintronics memory application such as magnetic random access memory. PMID:25597496

  18. Artificially engineered Heusler ferrimagnetic superlattice exhibiting perpendicular magnetic anisotropy

    PubMed Central

    Ma, Q. L.; Zhang, X. M.; Miyazaki, T.; Mizukami, S.

    2015-01-01

    To extend density limits in magnetic recording industry, two separate strategies were developed to build the storage bit in last decade, introduction of perpendicular magnetic anisotropy (PMA) and adoption of ferrimagnetism/antiferromagnetism. Meanwhile, these properties significantly improve device performance, such as reducing spin-transfer torque energy consumption and decreasing signal-amplitude-loss. However, materials combining PMA and antiferromagnetism rather than transition-metal/rare-earth system were rarely developed. Here, we develop a new type of ferrimagnetic superlattice exhibiting PMA based on abundant Heusler alloy families. The superlattice is formed by [MnGa/Co2FeAl] unit with their magnetizations antiparallel aligned. The effective anisotropy (Kueff) over 6 Merg/cm3 is obtained, and the SL can be easily built on various substrates with flexible lattice constants. The coercive force, saturation magnetization and Kueff of SLs are highly controllable by varying the thickness of MnGa and Co2FeAl layers. The SLs will supply a new choice for magnetic recording and spintronics memory application such as magnetic random access memory. PMID:25597496

  19. Artificially engineered Heusler ferrimagnetic superlattice exhibiting perpendicular magnetic anisotropy

    NASA Astrophysics Data System (ADS)

    Ma, Q. L.; Zhang, X. M.; Miyazaki, T.; Mizukami, S.

    2015-01-01

    To extend density limits in magnetic recording industry, two separate strategies were developed to build the storage bit in last decade, introduction of perpendicular magnetic anisotropy (PMA) and adoption of ferrimagnetism/antiferromagnetism. Meanwhile, these properties significantly improve device performance, such as reducing spin-transfer torque energy consumption and decreasing signal-amplitude-loss. However, materials combining PMA and antiferromagnetism rather than transition-metal/rare-earth system were rarely developed. Here, we develop a new type of ferrimagnetic superlattice exhibiting PMA based on abundant Heusler alloy families. The superlattice is formed by [MnGa/Co2FeAl] unit with their magnetizations antiparallel aligned. The effective anisotropy (Kueff) over 6 Merg/cm3 is obtained, and the SL can be easily built on various substrates with flexible lattice constants. The coercive force, saturation magnetization and Kueff of SLs are highly controllable by varying the thickness of MnGa and Co2FeAl layers. The SLs will supply a new choice for magnetic recording and spintronics memory application such as magnetic random access memory.

  20. Artificially engineered Heusler ferrimagnetic superlattice exhibiting perpendicular magnetic anisotropy.

    PubMed

    Ma, Q L; Zhang, X M; Miyazaki, T; Mizukami, S

    2015-01-01

    To extend density limits in magnetic recording industry, two separate strategies were developed to build the storage bit in last decade, introduction of perpendicular magnetic anisotropy (PMA) and adoption of ferrimagnetism/antiferromagnetism. Meanwhile, these properties significantly improve device performance, such as reducing spin-transfer torque energy consumption and decreasing signal-amplitude-loss. However, materials combining PMA and antiferromagnetism rather than transition-metal/rare-earth system were rarely developed. Here, we develop a new type of ferrimagnetic superlattice exhibiting PMA based on abundant Heusler alloy families. The superlattice is formed by [MnGa/Co2FeAl] unit with their magnetizations antiparallel aligned. The effective anisotropy (K(u)(eff)) over 6 Merg/cm(3) is obtained, and the SL can be easily built on various substrates with flexible lattice constants. The coercive force, saturation magnetization and K(u)(eff) of SLs are highly controllable by varying the thickness of MnGa and Co2FeAl layers. The SLs will supply a new choice for magnetic recording and spintronics memory application such as magnetic random access memory.

  1. Chemical disorder determines the deviation of the Slater-Pauling rule for Fe2MnSi-based Heusler alloys: evidences from neutron diffraction and density functional theory.

    PubMed

    Tedesco, J C G; Pedro, S S; Caraballo Vivas, R J; Cruz, C; Andrade, V M; Dos Santos, A M; Carvalho, A M G; Costa, M; Venezuela, P; Rocco, D L; Reis, M S

    2016-11-30

    Fe2MnSi fails to follow the Slater-Pauling rule. This phenomenon is thought to originate from either: (i) an antiferromagnetic arrangement of Mn ions at low temperature and/or (ii) chemical disorder. An important insight on this issue could be achieved by considering Fe2MnSi1-x Ga x compounds, thoroughly studied here by means of magnetization, neutron diffraction and density functional calculations (DFT). Our results indicate that chemical disorder (and not the antiferromagnetic arrangement) is responsible for the deviation of the Slater-Pauling rule on Fe2MnSi-based Heusler alloys. Furthermore, evidences suggest that Ga substitution into Si site favors the Fe/Mn disorder, further enhancing the observed deviation. PMID:27633814

  2. Chemical disorder determines the deviation of the Slater-Pauling rule for Fe2MnSi-based Heusler alloys: evidences from neutron diffraction and density functional theory.

    PubMed

    Tedesco, J C G; Pedro, S S; Caraballo Vivas, R J; Cruz, C; Andrade, V M; Dos Santos, A M; Carvalho, A M G; Costa, M; Venezuela, P; Rocco, D L; Reis, M S

    2016-11-30

    Fe2MnSi fails to follow the Slater-Pauling rule. This phenomenon is thought to originate from either: (i) an antiferromagnetic arrangement of Mn ions at low temperature and/or (ii) chemical disorder. An important insight on this issue could be achieved by considering Fe2MnSi1-x Ga x compounds, thoroughly studied here by means of magnetization, neutron diffraction and density functional calculations (DFT). Our results indicate that chemical disorder (and not the antiferromagnetic arrangement) is responsible for the deviation of the Slater-Pauling rule on Fe2MnSi-based Heusler alloys. Furthermore, evidences suggest that Ga substitution into Si site favors the Fe/Mn disorder, further enhancing the observed deviation.

  3. The electronic structure and spin polarization of Co2Mn0.75(Gd, Eu)0.25Z (Z=Si, Ge, Ga, Al) quaternary Heusler alloys

    NASA Astrophysics Data System (ADS)

    Berri, Saadi

    2016-03-01

    A first-principles approach is used to study the electronic and magnetic properties of Co2Mn0.75(Gd, Eu)0.25Z(Z=Si, Ge, Ga, Al) quaternary Heusler alloys. The investigation was done using the (FP-LAPW) method where the exchange-correlation potential was calculated with the frame of GGA-WC. At ambient conditions our calculated results of band structures reveal that for Co2Mn0.75(Gd, Eu)0.25Z(Z=Si, Ge) has a half-metallic (HM) band structure profile showing 100% spin polarization at the Fermi level. In contrast, Co2Mn0.75(Gd, Eu)0.25Z(Z=Ga, Al) alloys are found to be metallic. Finally, the half metallic compounds found in some structures of this series might be useful in spintronic devices.

  4. Chemical disorder determines the deviation of the Slater-Pauling rule for Fe2MnSi-based Heusler alloys: evidences from neutron diffraction and density functional theory

    NASA Astrophysics Data System (ADS)

    Tedesco, J. C. G.; Pedro, S. S.; Caraballo Vivas, R. J.; Cruz, C.; Andrade, V. M.; dos Santos, A. M.; Carvalho, A. M. G.; Costa, M.; Venezuela, P.; Rocco, D. L.; Reis, M. S.

    2016-11-01

    Fe2MnSi fails to follow the Slater-Pauling rule. This phenomenon is thought to originate from either: (i) an antiferromagnetic arrangement of Mn ions at low temperature and/or (ii) chemical disorder. An important insight on this issue could be achieved by considering Fe2MnSi1-x Ga x compounds, thoroughly studied here by means of magnetization, neutron diffraction and density functional calculations (DFT). Our results indicate that chemical disorder (and not the antiferromagnetic arrangement) is responsible for the deviation of the Slater-Pauling rule on Fe2MnSi-based Heusler alloys. Furthermore, evidences suggest that Ga substitution into Si site favors the Fe/Mn disorder, further enhancing the observed deviation.

  5. Spin Transfer Torque Switching and Perpendicular Magnetic Anisotropy in Full Heusler Alloy Co2FeAl-BASED Tunnel Junctions

    NASA Astrophysics Data System (ADS)

    Sukegawa, H.; Wen, Z. C.; Kasai, S.; Inomata, K.; Mitani, S.

    2014-12-01

    Some of Co-based full Heusler alloys have remarkable properties in spintronics, that is, high spin polarization of conduction electrons and low magnetic damping. Owing to these properties, magnetic tunnel junctions (MTJs) using Co-based full Heusler alloys are potentially of particular importance for spintronic application such as magnetoresistive random access memories (MRAMs). Recently, we have first demonstrated spin transfer torque (STT) switching and perpendicular magnetic anisotropy (PMA), which are required for developing high-density MRAMs, in full-Heusler Co2FeAl alloy-based MTJs. In this review, the main results of the experimental demonstrations are shown with referring to related issues, and the prospect of MTJs using Heusler alloys is also discussed.

  6. Half-Heusler phase related structural perturbations near stoichiometric composition FeZnSb

    SciTech Connect

    Xiong, Ding-Bang; Zhao, Yufeng

    2011-05-15

    Half-Heusler phases XYZ (Pearson symbol cF12) are chemically versatile and rich in physical properties. The half-Heusler phase in the Fe-Zn-Sb ternary system was reported in the year 2000. In this work, two new ternary phases are identified in the vicinity of the equiatomic composition FeZnSb in the same system: Fe{sub 1-x}ZnSb (tetragonal, space group P4/nmm, Pearson symbol tP6-{delta}, Z=2: a=4.1113(6) A, c=6.0127(12) A for x=0.08 (1), and a=4.1274(6) A, c=6.0068(12) A for x=0.12 (2)); and Fe{sub 7.87}Zn{sub 6.72}Sb{sub 8} (Fe{sub 0.98}Zn{sub 0.84}Sb) (3) (cubic, space group Fm-3m, Pearson symbol cF96-{delta}, Z=4, a=11.690(13) A). 1 and 2 crystallize in the PbFCl-type structure, and 3 adopts a unique 2x2x2 supercell of a normal half-Heusler structure. The structures of both the tetragonal and cubic phases can be described as assemblies of half-Heusler structure related subunits. Electrical resistivity measurement on the pure sample of 2 shows it has metallic-like behavior, and its thermal and magnetic properties are also characterized. -- Graphical Abstract: Three types of half-Heusler structure related subunit are identified in the vicinity of the equiatomic composition FeZnSb in the Fe-Zn-Sb system. Display Omitted Highlights: {yields} Two new related phases around equiatomic composition FeZnSb. {yields} Structural perturbation with the small variation of composition. {yields} Magnetic properties of the structure with defects.

  7. Magnetic Properties of MnFe2Ga Heusler Alloys

    NASA Astrophysics Data System (ADS)

    Elgendy, Ahmed A.; Salehi-Fashami, Mohammad; Sellmyer, David; Hadjipanayis, George

    2015-03-01

    Recently, MnFe2Ga Heusler alloys have attracted significant attention due to their interesting physical properties such as large magnetic-field-induced strain, giant magnetocaloric effects,large magnetoresistance, and exchange bias behavior. These properties make them promising candidates for various practical applications in the field of smart materials, magnetic refrigeration and spintronics. In this work, we prepared MnFe2Ga alloys by melt-spinning and sputtering and studied the structural and magnetic properties. The melt-spun ribbons were prepared with a wheel speed of 30 m/s. The ribbons were annealed at different temperatures for 1 hour and grinded to make fine powders. The grinded powders were also used to make the target that is used in the cluster gun for the fabrication of MnFe2Ga nanoparticles. The structure of the as made, annealed ribbons, and powders displayed a face-centered-cubic structure. The microstructure of the as-made ribbons showed equiaxed grains with an average size of 3-5 μm while the annealed ribbons showed bigger grains with small particles covering homogeneously their surface. The magnetic properties show an enhancement of magnetization while coercivity remains the same with values M(3T) and HC of 85 emu/g and 150 Oe, respectively Transmission electron microscopy with elemental mapping is currently underway to determine the structure and composition of the surface nanoparticles. The work was supported by DOE-BES-DMSE (Grant No. DE-FG02-04ER4612).

  8. A comparison of surface segregation for two semi-Heusler alloys: TiCoSb and NiMnSb

    NASA Astrophysics Data System (ADS)

    Caruso, A. N.; Borca, C. N.; Ristoiu, D.; Nozières, J. P.; Dowben, P. A.

    2003-02-01

    Very different types of surface segregation are found for very similar Heusler alloy materials. We observed significant manganese and antimony segregation to the surfaces and near surface regions of the semi-Heusler alloys NiMnSb and TiCoSb respectively. The Mn and Sb surface enrichment was characterized by angle resolved core level photoemission. Indications of surface disorder from low energy electron diffraction provide complimentary evidence of segregation.

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

    SciTech Connect

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

    2009-11-15

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

  10. Effect of the Chalcogenide Element Doping on the Electronic Properties of Co2FeAl Heusler Alloys

    NASA Astrophysics Data System (ADS)

    Huang, Ting; Cheng, Xiao-min; Guan, Xia-wei; Miao, Xiang-shui

    2016-02-01

    The electronic properties of the typical Heusler compound Co2FeAl with chalcogenide element doping were investigated by means of first principles calculations within the local spin-density approximation (LSDA) + Hubbard U parameter (U). The calculations indicate that, only when 25% of the number of Al atoms is substituted by the chalcogenide element, the chalcogenide element-doped Co2FeAl shows the half metallic properties. The Fermi energy ( E F) of the 25% chalcogenide element-doped Co2FeAl is located in the middle of the gap of the minority states instead of around the top of the valence band as in Co2FeAl. Moreover, the band gap of 25% Te-doped Co2FeAl (0.80 eV) is wider than that of Co2FeAl (0.74 eV). These improved electronic structures will make 25% chalcogenide element-doped Co2FeAl more stable against temperature variation. Therefore, the expected excellent stability of the 25% chalcogenide element-doped Co2FeAl make it more suitable for spintronic applications than Co2FeAl.

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

    PubMed

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

    2012-09-01

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

  12. Engineering phase transitions in Heusler alloys: Towards better magnetic refrigerants

    NASA Astrophysics Data System (ADS)

    Shamberger, Patrick Jacob

    The central question investigated in this dissertation is whether, through appropriate materials design, a martensitic transformation (MT) can enhance the magnetocaloric effect (MCE) of a material and improve its performance as a magnetic refrigerant. Very large magnetocaloric effects have been demonstrated near first-order magneto-structural phase transitions where there is a large difference in magnetization between parent and daughter phases. Despite this potential, first-order phase transitions are typically associated with hysteresis losses and kinetic limitations that may detract from the performance of magnetic refrigerants. The role of these factors in material performance is generally underappreciated. Here, we evaluate different aspects of the overall performance of one model material system, Ni-Mn-Sn Heusler alloys. Our aim is to establish key limitations that may exist in this model system, and to identify potential approaches to reducing these limitations. This dissertation is divided into four principle sections: 1) Alloy Structure. Here, we report phase stability, lattice parameters, and atomic ordering across various sections in the Ni-Mn-Sn ternary. Furthermore, we calculate the Bain strain associated with the phase transformation, and observe no evidence for intermediate phases in the phase transformation. 2) MT Kinetics. Isothermal and constant cooling rate transformations behave consistently with a nucleation-limited MT. We demonstrate that nucleation is distributed over a range of temperatures due to compositional and elastic strain energy heterogeneities in the system. 3) MT Hysteresis. We quantify the hysteresis loss associated with the temperature- and magnetic field-induced MT, and demonstrate the limitations that hysteresis exerts on the extent of transformation (and thus, on the MCE). Furthermore, we consider the role of transformation strain on the hysteresis associated with the first-order phase transition. 4) Low field magnetic anomaly

  13. Lateral spin valves with two-different Heusler-alloy electrodes on the same platform

    SciTech Connect

    Oki, S.; Yamada, S.; Tanikawa, K.; Yamasaki, K.; Miyao, M.; Hamaya, K.

    2013-11-18

    Using room-temperature molecular beam epitaxy on Si(111), we demonstrate Heusler-alloy bilayers consisting of L2{sub 1}-Co{sub 2}FeSi (CFS) and D0{sub 3}-Fe{sub 3}Si (FS). By fabricating lateral spin valves with L2{sub 1}-CFS and D0{sub 3}-FS electrodes, we can see ideal spin signals even though we use one L2{sub 1}-CFS as a spin injector and another D0{sub 3}-FS as a spin detector. The difference in the spin absorption between L2{sub 1}-CFS and D0{sub 3}-FS can also be examined, and we find that the spin resistance of D0{sub 3}-FS is larger than that of L2{sub 1}-CFS. This work will be useful for understanding spin transport in lateral spin-valve devices with different Heusler-alloy electrodes.

  14. Shell-ferromagnetism of nano-Heuslers generated by segregation under magnetic field

    NASA Astrophysics Data System (ADS)

    Çakır, A.; Acet, M.; Farle, M.

    2016-07-01

    We report on a new functional property in an AF martensitic Heusler Ni50Mn45In5, which when annealed at high temperatures under a magnetic field, segregates and forms Ni50Mn25In25 Heusler precipitates embedded in a Ni50Mn50 matrix. The precipitates are paramagnetic whereas the matrix is antiferromagnetic. However, the spins at the interface with the Ni50Mn50 matrix align with the field during their nucleation and growth and become strongly pinned in the direction of the applied field during annealing, whereas the core spins become paramagnetic. This shell-ferromagnetism persists up to 600 K and is so strongly pinned that the remanent magnetization remains unchanged, even when the field is reversed or when the temperature is cycled between low temperatures and close to the annealing temperature.

  15. Pairing of j=3/2 Fermions in Half-Heusler Superconductors.

    PubMed

    Brydon, P M R; Wang, Limin; Weinert, M; Agterberg, D F

    2016-04-29

    We theoretically consider the superconductivity of the topological half-Heusler semimetals YPtBi and LuPtBi. We show that pairing occurs between j=3/2 fermion states, which leads to qualitative differences from the conventional theory of pairing between j=1/2 states. In particular, this permits Cooper pairs with quintet or septet total angular momentum, in addition to the usual singlet and triplet states. Purely on-site interactions can generate s-wave quintet time-reversal symmetry-breaking states with topologically nontrivial point or line nodes. These local s-wave quintet pairs reveal themselves as d-wave states in momentum space. Furthermore, due to the broken inversion symmetry in these materials, the s-wave singlet state can mix with a p-wave septet state, again with topologically stable line nodes. Our analysis lays the foundation for understanding the unconventional superconductivity of the half-Heuslers.

  16. Magnetocaloric effect and its relation to shape-memory properties in ferromagnetic Heusler alloys.

    PubMed

    Planes, Antoni; Mañosa, Lluís; Acet, Mehmet

    2009-06-10

    Magnetic Heusler alloys which undergo a martensitic transition display interesting functional properties. In the present review, we survey the magnetocaloric effects of Ni-Mn-based Heusler alloys and discuss their relation with the magnetic shape-memory and magnetic superelasticity reported in these materials. We show that all these effects are a consequence of a strong coupling between structure and magnetism which enables a magnetic field to rearrange martensitic variants as well as to provide the possibility to induce the martensitic transition. These two features are respectively controlled by the magnetic anisotropy of the martensitic phase and by the difference in magnetic moments between the structural phases. The relevance of each of these contributions to the magnetocaloric properties is analysed.

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

    SciTech Connect

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

    2011-09-15

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

  18. Shell-ferromagnetism of nano-Heuslers generated by segregation under magnetic field

    PubMed Central

    Çakır, A.; Acet, M.; Farle, M.

    2016-01-01

    We report on a new functional property in an AF martensitic Heusler Ni50Mn45In5, which when annealed at high temperatures under a magnetic field, segregates and forms Ni50Mn25In25 Heusler precipitates embedded in a Ni50Mn50 matrix. The precipitates are paramagnetic whereas the matrix is antiferromagnetic. However, the spins at the interface with the Ni50Mn50 matrix align with the field during their nucleation and growth and become strongly pinned in the direction of the applied field during annealing, whereas the core spins become paramagnetic. This shell-ferromagnetism persists up to 600 K and is so strongly pinned that the remanent magnetization remains unchanged, even when the field is reversed or when the temperature is cycled between low temperatures and close to the annealing temperature. PMID:27412644

  19. Pairing of j =3 /2 Fermions in Half-Heusler Superconductors

    NASA Astrophysics Data System (ADS)

    Brydon, P. M. R.; Wang, Limin; Weinert, M.; Agterberg, D. F.

    2016-04-01

    We theoretically consider the superconductivity of the topological half-Heusler semimetals YPtBi and LuPtBi. We show that pairing occurs between j =3 /2 fermion states, which leads to qualitative differences from the conventional theory of pairing between j =1 /2 states. In particular, this permits Cooper pairs with quintet or septet total angular momentum, in addition to the usual singlet and triplet states. Purely on-site interactions can generate s -wave quintet time-reversal symmetry-breaking states with topologically nontrivial point or line nodes. These local s -wave quintet pairs reveal themselves as d -wave states in momentum space. Furthermore, due to the broken inversion symmetry in these materials, the s -wave singlet state can mix with a p -wave septet state, again with topologically stable line nodes. Our analysis lays the foundation for understanding the unconventional superconductivity of the half-Heuslers.

  20. Tetragonal Heusler-Like Mn-Ga Alloys Based Perpendicular Magnetic Tunnel Junctions

    NASA Astrophysics Data System (ADS)

    Ma, Qinli; Sugihara, Atsushi; Suzuki, Kazuya; Zhang, Xianmin; Miyazaki, Terunobu; Mizukami, Shigemi

    2014-10-01

    Films of the Mn-based tetragonal Heusler-like alloys, such as Mn-Ga, exhibit a large perpendicular magnetic anisotropy (PMA), small damping constant, small saturation magnetization and large spin polarizations. These properties are attractive for the application to the next generation high density spin-transfer-torque (STT) magnetic random access memory (STT-MRAM). We reviewed the structure, magnetic properties and Gilbert damping of the alloy films with large PMA, and the current status of research on tunnel magnetoresistance (TMR) in perpendicular magnetic tunnel junctions (p-MTJs) based on Mn-based tetragonal Heusler-like alloy electrode, and also discuss the issues for the application of those to STT-MRAM.

  1. Premartensite transition in Ni{sub 2}FeGa Heusler alloy

    SciTech Connect

    Nath, Hrusikesh; Phanikumar, G.

    2015-04-15

    Martensitic phase transformation of Ni{sub 2}FeGa Heusler alloy was studied by differential scanning calorimetry. Atomic ordering induced in the austenite structure by quenching from high temperature plays a significant role on martensitic phase transformation. Higher magnetization and larger magneto-crystalline anisotropy of martensite phase than that of austenite phase are noticed. Tweed contrast regions observed in the transmission electron microscopy were correlated to premartensite phenomena. A shift in premartensitic transition temperature prior to martensitic transformation as measured by differential scanning calorimetry is being reported for the first time in this system. - Highlights: • Atomic ordering influences martensitic transformation in Ni{sub 2}FeGa Heusler alloy. • Observation of tweed contrast in TEM was correlated to premartensite phenomena. • For the first time the shift in premartensite peak was observed in DSC.

  2. High spin polarization in CoFeMnGe equiatomic quaternary Heusler alloy

    SciTech Connect

    Bainsla, Lakhan; Suresh, K. G.; Nigam, A. K.; Manivel Raja, M.; Varaprasad, B. S. D. Ch. S.; Takahashi, Y. K.; Hono, K.

    2014-11-28

    We report the structure, magnetic property, and spin polarization of CoFeMnGe equiatomic quaternary Heusler alloy. The alloy was found to crystallize in the cubic Heusler structure (prototype LiMgPdSn) with considerable amount of DO{sub 3} disorder. Thermal analysis result indicated the Curie temperature is about 750 K without any other phase transformation up to melting temperature. The magnetization value was close to that predicted by the Slater-Pauling curve. Current spin polarization of P = 0.70 ± 0.01 was deduced using point contact andreev reflection measurements. The temperature dependence of electrical resistivity has been fitted in the temperature range of 5–300 K in order to check for the half metallic behavior. Considering the high spin polarization and Curie temperature, this material appears to be promising for spintronic applications.

  3. Strategies to Bulk Half-Heusler Nanocomposites with Simultaneously Enhanced Power Factor and Reduced Thermal Conductivity

    NASA Astrophysics Data System (ADS)

    Poudeu, Pierre Ferdinand

    2011-03-01

    Among promising thermoelectric materials for power generation, half-Heusler (HH) phases with general compositions TNiSn and TCoSb (T = Ti, Zr, Hf) have attracted tremendous attention not only because they involve abundant and environmentally friendly elements, but also due to their combination of large Seebeck coefficients with moderately low electrical resistivities. However, the ability to synthesize HH based materials with decent figures of merit (ZT> 1) hasbeenjeopardizedbytheirverylargethermalconductivities . StrategiestoreducethethermalconductivityofHHphasesfocusingonmassfluctuationphononscatteringviasolidsolutionalloyingorphononscatteringatgrainboundariesandinterfacesinHHphaseswithembeddedpre - synthesizednanoparticleshavefailedtogeneratematerialswithhighfiguresofmeritduetosimultaneousreductionsinthepowerfactor . Here , weintroduceinnovativeapproachestorevolutionaryincreasesinthefigureofmeritofHHbasedmaterialsthroughsimultaneouslargeenhancementofthepowerfactoranddrasticreductioninthethermalconductivity . Ourstrategyisfocusedonatomic - scalestructuralengineeringoftheHHmatrixthroughtheconfinementoffull - Heusler (FH) inclusionphasesonthelatticeconstantlength - scale . Emphasiswillbeplacedonthen - typeZr 0.25 Hf 0.75 Ni 1+x Sn 1-y Pn y andTi 0.5 Zr 0.5 Ni 1+x Sn 1-y Pn y aswellasthep - typeTi 0.5 Zr 0.5 Co 1+x Pn 1-y Sn y , (Pn = Sb, Bi) nanocomposites. We will discuss the underlying mechanism for the formation of half-Heusler/full-Heusler (HH/FH) nanocomposites with coherent matrix/inclusion interfaces. The role of synthetic and processing methods; and size, dispersion and mole fraction of the FH inclusions on the thermoelectric performance of bulk HH/FH nanocomposites will be assessed by combining transmission electron microscopy studies with thermal and electronic charge transport data. Financial support from DARPA contract # HR 0011-08-1-0084 is greatly acknowledged. This work made use of the laser flash diffusivity apparatus (Netzsch-LFA457) purchased with

  4. Fermi level tuning of highly spin-polarized complex Heusler alloys via materials genome

    NASA Astrophysics Data System (ADS)

    Pandey, Sudip; Quetz, Abdiel; Aryal, Anil; Fralaide, Michael; Samanta, Tapas; Munira, Kamran; Butler, William; Dubenko, Igor; Mazumdar, Dipanjan; Stadler, Shane; Ali, Naushad

    2015-03-01

    Heusler alloys are the largest family of half-metals (100% spin polarized at the Fermi level) and most promising for spintronic device applications. Many half-metallic full-Huesler alloys are predicted from ab-initio calculations, but may or may not be experimentally realizable. Here, we present a novel strategy to utilize these predicted materials to tune the Fermi level of well-known, highly spin-polarized Heusler alloys. We start with the test sample of [Co2MnSi]1-x[Co2CrGe]x, and, by controlling the ratio of these materials, we were able to shift the Fermi level of Co2MnSi. Experimentally, we study the structural and magnetic properties of such Heusler alloys by room temperature X-ray diffraction (XRD) and taking magnetization measurements; It was found that these complex combinations of materials are single phase even though some components (Co2CrGe for example) might not be stable in bulk form alone. This work was supported by the Office of Basic Energy Sciences, Material Science Division of the U.S. Department of Energy (DOE Grant No. DE-FG02-06ER46291 and DE-FG02-13ER46946).

  5. Martensite Transformation and Magnetic Properties of Ni-Fe-Ga Heusler Alloys

    NASA Astrophysics Data System (ADS)

    Nath, Hrusikesh; Phanikumar, Gandham

    2015-11-01

    Compositional instability and phase formation in Ni-Fe-Ga Heusler alloys are investigated. The alloys are synthesized into two-phase microstructure. Their structures are identified as fcc and L 21, respectively. The γ-phase formation could be suppressed with higher Ga-content in the alloy as Ga stabilizes austenite phase, but Ga lowers the martensite transformation temperature. The increase of Fe content improves the magnetization value and the increase of Ni from 52 to 55 at. pct raises the martensite transformation temperature from 216 K to 357 K (-57 °C to 84 °C). Magnetic properties and martensitic transformation behavior in Ni-Fe-Ga Heusler alloys follow opposite trends, while Ni replaces either Fe or Ga, whereas they follow similar trends, while Fe replaces Ga. Modulated martensite structure has low twinning stress and high magneto crystalline anisotropic properties. Thus, the observation of 10- and 14 M-modulated martensite structures in the studied Ni-Fe-Ga Heusler alloys is beneficial for shape memory applications. The interdependency of alloy composition, phase formation, magnetic properties, and martensite transformation are discussed.

  6. A Comparison of Surface Segregation for two semi-Heusler alloys: TiCoSb and NiMnSb

    NASA Astrophysics Data System (ADS)

    Caruso, A. N.; Borca, C. N.; Dowben, P. A.; Ristoiu, D.; Nozieres, J. P.

    2002-03-01

    Very different types of surface segregation are found for very similar Heusler alloy materials. We observed significant manganese and antimony segregation to the surfaces of the semi-Heusler alloys NiMnSb and TiCoSb respectively. The Mn and Sb surface enrichment was characterized by angle-resolved core level photoemission. Indications of surface disorder from low energy electron diffraction provide complimentary evidence of segregation. It has been established [1,2] that segregation will significantly affect polarization so surface/interface segregation of the types observed for the half Heusler alloys will have substantial implications for spin-electronic devices made from these nominally high polarization materials. [1] D. Ristoiu, et al., Europhysics Letters 49 (2000) 624-630 [2] C. N. Borca, et al., Europhysics Letters 56 (2001) 722-728

  7. Perpendicular magnetization of Co2FeAl full-Heusler alloy films induced by MgO interface

    NASA Astrophysics Data System (ADS)

    Wen, Zhenchao; Sukegawa, Hiroaki; Mitani, Seiji; Inomata, Koichiro

    2011-06-01

    The perpendicular magnetization of Co2FeAl (CFA) full-Heusler alloy films was achieved in the structures of CFA/MgO and MgO/CFA with the perpendicular magnetic anisotropy energy density (KU) of 2-3×106 erg/cm3, which can be used as the perpendicular ferromagnetic electrodes of MgO-based magnetic tunnel junctions (MTJs) with high thermal stability at sub-50-nm dimension. The CFA thickness dependence of KU was investigated at different annealing temperatures, indicating that the perpendicular anisotropy of CFA is contributed by the interfacial anisotropy between CFA and MgO. This letter will open up a way for obtaining perpendicular magnetization of Co-based full-Heusler alloys, which is promising for further reduction in the critical current of current induced magnetization switching in MgO-based MTJ nanopillars with perpendicular full-Heusler alloy electrodes.

  8. Ab initio phonon properties of half-Heusler NiTiSn, NiZrSn and NiHfSn.

    PubMed

    Andrea, Luc; Hug, Gilles; Chaput, Laurent

    2015-10-28

    A theoretical investigation of phonon properties from first-principles calculations is carried out for the half-Heusler compounds NiXSn, [Formula: see text], Zr and Hf. The crystal structures are optimised via ab initio calculations within the framework of density functional theory. The phonon properties are retrieved from harmonic and anharmonic interatomic force constants calculations using the finite size displacements method and many-body perturbation theory. A solution to the linearized phonon Boltzmann transport equation is then used to compute the ab initio thermal conductivities. For X   =   Ti, Zr and Hf, we found 15.4, 13.3 and 15.8 W m(-1) K(-1) at 300 K, respectively. Thanks to a spectral analysis of the velocities and lifetimes we were able appreciate the differences in the thermal conductivities between the three compounds under study. Our results provide insights to understand the behaviour of the thermal conductivity and therefore to improve the thermoelectric figure of merit for such materials.

  9. Ab initio ground state and L{sub 2,3} x-ray magnetic circular dichroism of Mn-based Heusler alloys

    SciTech Connect

    Galanakis, I.; Ostanin, S.; Alouani, M.; Dreysse, H.; Wills, J. M.

    2000-02-01

    Relativistic full-potential calculations within the generalized gradient approximation (GGA) for a series of Mn-based Heusler alloys are presented. Calculated equilibrium lattice parameters deviate less than 1.2% from the experimental values. The main features of a half metallic system are present in the density of states for the PtMnSb and NiMnSb. We predict that PdMnSb shows half metallic character under hydrostatic pressure. The substitution of Sb in PtMnSb by Sn or Te destroys the minority spin band gap. Spin and orbital magnetic moments for all the systems are in good agreement with previous calculations and experimental data. L{sub 2,3} x-ray absorption and x-ray magnetic circular dichroism (XMCD) spectra are calculated for all the five compounds. Pt spectra present big deviations from system to system in the PtMnY (Y=Sn,Sb,Te) compounds while Mn spectra show only small deviations. For all these spectra GGA underestimates the L{sub 3}/L{sub 2} integrated branching ratio and produces a much smaller L{sub 2} peak intensity for the Ni site in NiMnSb. The XMCD sum rules are used to compute the spin and orbital magnetic moments and the results are compared to the direct calculations. (c) 2000 The American Physical Society.

  10. Disorder dependent half-metallicity in Mn{sub 2}CoSi inverse Heusler alloy

    SciTech Connect

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

    2013-12-15

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

  11. First principle prediction of half-metallic ferromagnetism above room temperature in half-heusler alloys

    SciTech Connect

    Van An Dinh; Sato, Kazunori; Katayama-Yoshida, Hiroshi

    2010-01-04

    A first principle study of half-metallicity and ferromagnetism in half-heusler alloys NiMnZ (Z = Si, P, Ge, As, and Sb) is given. The half-metallicity and ferromagnetism are predicted via the calculation of electronic structure, and Curie temperature. The stability of the orthorhombic and tetragonal structures and C1{sub b} at various values of lattice parameters is also studied by means of the pseudo-potential method. All alloys exhibit the half-metallicity and ferromagnetism above room temperature.

  12. Diffusion-driven crystal structure transformation: synthesis of Heusler alloy Fe3Si nanowires.

    PubMed

    Seo, Kwanyong; Bagkar, Nitin; Kim, Si-in; In, Juneho; Yoon, Hana; Jo, Younghun; Kim, Bongsoo

    2010-09-01

    We report fabrication of Heusler alloy Fe(3)Si nanowires by a diffusion-driven crystal structure transformation method from paramagnetic FeSi nanowires. Magnetic measurements of the Fe(3)Si nanowire ensemble show high-temperature ferromagnetic properties with T(c) > 370 K. This methodology is also successfully applied to Co(2)Si nanowires in order to obtain metal-rich nanowires (Co) as another evidence of the structural transformation process. Our newly developed nanowire crystal transformation method would be valuable as a general method to fabricate metal-rich silicide nanowires that are otherwise difficult to synthesize.

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

    PubMed

    Gandi, Appala Naidu; Schwingenschlögl, Udo

    2016-05-18

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

  14. Elastic constants determined by nanoindentation for p-type thermoelectric half-Heusler

    SciTech Connect

    Gahlawat, S.; Wheeler, L.; White, K. W. E-mail: kwwhite@uh.edu; He, R.; Chen, S.; Ren, Z. F. E-mail: kwwhite@uh.edu

    2014-08-28

    This paper presents a study of the elastic properties of the p-type thermoelectric half-Heusler material, Hf{sub 0.44}Zr{sub 0.44}Ti{sub 0.12}CoSb{sub 0.8}Sn{sub 0.2}, using nanoindentation. Large grain-sized polycrystalline specimens were fabricated for these measurements, providing sufficient indentation targets within single grains. Electron Backscatter Diffraction methods indexed the target grains for the correlation needed for our elastic analysis of individual single crystals for this cubic thermoelectric material. Elastic properties, including the Zener ratio and the Poisson ratio, obtained from the elasticity tensor are also reported.

  15. Magnetocaloric effect in ribbon samples of Heusler alloys Ni-Mn-M (M=In,Sn)

    NASA Astrophysics Data System (ADS)

    Aliev, A. M.; Batdalov, A. B.; Kamilov, I. K.; Koledov, V. V.; Shavrov, V. G.; Buchelnikov, V. D.; García, J.; Prida, V. M.; Hernando, B.

    2010-11-01

    Direct measurements of the magnetocaloric effect in samples of rapidly quenched ribbons of Mn50Ni40In10 and Ni50Mn37Sn13 Heusler alloys with potential applications in magnetic refrigeration technology are carried out. The measurements were made by a precise method based on the measurement of the oscillation amplitude of the temperature in the sample while is subjected to a modulated magnetic field. In the studied compositions both direct and inverse magnetocaloric effects associated with magnetic (paramagnet-ferromagnet-antiferromagnet) and structural (austenite-martensite) phase transitions are found. Additional inverse magnetocaloric effects of small value are observed around the ferromagnetic transitions.

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

    PubMed

    Gandi, Appala Naidu; Schwingenschlögl, Udo

    2016-05-18

    We solve the transport equations of the electrons and phonons to understand the thermoelectric behaviour of the technologically important half-Heusler alloys MNiSn (M: Ti, Zr, Hf). Doping is simulated within the rigid band approximation. We clarify the origin of the electron dominated thermoelectric response and determine the carrier concentrations with maximal figures of merit. The phonon mean free path is studied to calculate the grain size below which grain refinement methods can enforce ballistic heat conduction to enhance the figure of merit. PMID:27156360

  17. Chemical disorder as an engineering tool for spin polarization in Mn3Ga -based Heusler systems

    NASA Astrophysics Data System (ADS)

    Chadov, S.; D'Souza, S. W.; Wollmann, L.; Kiss, J.; Fecher, G. H.; Felser, C.

    2015-03-01

    Our study highlights spin-polarization mechanisms in metals by focusing on the mobilities of conducting electrons with different spins instead of their quantities. Here, we engineer electron mobility by applying chemical disorder induced by nonstoichiometric variations. As a practical example, we discuss the scheme that establishes such variations in tetragonal Mn3Ga Heusler material. We justify this approach using first-principles calculations of the spin-projected conductivity components based on the Kubo-Greenwood formalism. It follows that, in the majority of cases, even a small substitution of some other transition element instead of Mn may lead to a substantial increase in spin polarization along the tetragonal axis.

  18. Evidence for ferromagnetic strain glass in Ni-Co-Mn-Ga Heusler alloy system

    NASA Astrophysics Data System (ADS)

    Wang, Yu; Huang, Chonghui; Gao, Jinghui; Yang, Sen; Ding, Xiangdong; Song, Xiaoping; Ren, Xiaobing

    2012-09-01

    We report that both a strain glass transition and a ferromagnetic transition take place in a Ni43Co12Mn20Ga25 Heusler alloy. This results in a ferromagnetic strain glass with coexisting short range strain ordering and long range magnetic moment ordering. The phase diagram of the Ni-Co-Mn-Ga system shows that the substitutional point defect Co in the Ni-site plays the following roles: (i) suppressing the long range strain ordering of martensite, (ii) promoting local strain ordering of strain glass by producing random local stresses, and (iii) enhancing the ferromagnetic exchange interaction, which leads to the formation of ferromagnetic strain glass.

  19. Uniaxial pressure setup for piezoresistance and magnetoresistance measurements in Heusler materials.

    PubMed

    Bourgault, D; Porcar, L; Bruyère, C; Jacquet, P; Courtois, P

    2013-01-01

    We report on a new uniaxial pressure experimental setup for electrical resistivity measurements working in a 77 K-500 K temperature range and in a magnetic field up to 8 T. Such a continuous uniaxial pressure device enables the study of the piezoresistance and the pressure induced change in electrical properties of bulk samples. Strong influence of uniaxial pressure on transport properties is shown for Ni-Co-Mn-In Heusler single crystal material. A shift of the martensite-austenite first order transformation temperature is measured with an applied uniaxial pressure leading to an electrical resistance changed by up to 120%.

  20. Itinerant G -type antiferromagnetism in D 03 -type V3Z (Z =Al , Ga, In) compounds: A first-principles study

    NASA Astrophysics Data System (ADS)

    Galanakis, Iosif; Tırpancı, Şaban; Özdoǧan, Kemal; Şaşıoǧlu, Ersoy

    2016-08-01

    Heusler compounds are widely studied due to their variety of magnetic properties making them ideal candidates for spintronic and magnetoelectronic applications. V3Al in its metastable D0 3-type Heusler structure is a prototype for a rare antiferromagnetic gapless behavior. We provide an extensive study on the electronic and magnetic properties of V3Al , V3Ga , and V3In compounds based on electronic structure calculations. We show that the ground state for all three is a G -type itinerant antiferromagnetic gapless semiconductor. The large antiferromagnetic exchange interactions lead to very high Néel temperatures, which are predicted to be around 1000 K. The coexistence of the gapless and antiferromagnetic behaviors in these compounds can be explained considering the simultaneous presence of three V atoms at the unit cell using arguments which have been employed for usual inverse Heusler compounds. We expect our study on these compounds to enhance further the interest on them towards the optimization of their growth conditions and their eventual incorporation in devices.

  1. Hyperfine magnetic field on Cd-111 in Heusler alloys Co2MnZ (Z = Si, Ga, Ge, Sn)

    NASA Technical Reports Server (NTRS)

    Jha, S.; Mitros, C.; Lahamer, Amer; Yehia, Sherif; Julian, Glenn M.

    1989-01-01

    The time differential perturbed angular correlation method has been used to measure, as a function of temperature, the hyperfine magnetic field at Cd sites in the Heusler alloys Co2MnZ (Z = Si, Ga, Ge, Sn). The hyperfine fields, normalized to the total magnetic moment per formula unit, show an approximately linear trend toward more positive values with increasing lattice parameter.

  2. Efficient and Robust Thermoelectric Power Generation Device Using Hot-Pressed Metal Contacts on Nanostructured Half-Heusler Alloys

    NASA Astrophysics Data System (ADS)

    Joshi, Giri; Poudel, Bed

    2016-06-01

    We report an efficient thermoelectric device with power density of 8.9 W/cm2 and efficiency of 8.9% at 678°C temperature difference using hot-pressed titanium metal contact layers on nanostructured half-Heusler materials. The high power density and efficiency are due to the efficient nanostructured materials and very low contact resistance of ~1 μΩ cm2 between the titanium layer and half-Heusler material. Moreover, the bonding strength between the titanium and half-Heusler is more than 50 MPa, significantly higher compared with conventional contact metallization methods. The low contact resistance and high bonding strength are due to thin-layer diffusion of titanium (<100 μm) into the half-Heusler at high temperature (>600°C). The low contact resistance and high bonding strength result in a stable and efficient power generation device with great potential for use in recovery of waste heat, e.g., in automotive and industrial applications.

  3. Structural and magnetic properties of Co 2CrAl Heusler alloys prepared by mechanical alloying

    NASA Astrophysics Data System (ADS)

    Hakimi, M.; Kameli, P.; Salamati, H.

    2010-11-01

    Mechanical alloying has been used to produce nanocrystalline samples of Co 2CrAl Heusler alloys. The samples were characterized by using different methods. The results indicate that, it is possible to produce L2 1-Co 2CrAl powders after 15 h of ball-milling. The grain size of 15 h ball milled L2 1-Co 2CrAl Heusler phase, calculated by analyzing the XRD peak broadening using Williamson and Hall approach was 14 nm. The estimated magnetic moment per formula unit is ˜2 μ B. The obtained magnetic moment is significantly smaller than the theoretical value of 2.96 μ B for L2 1 structure. It seems that an atomic disorder from the crystalline L2 1-type ordered state and two-phase separation depresses the ferromagnetic ordering in alloy. Also, the effect of annealing on the structural and magnetic properties of ball milled powders was investigated. Two structures were identified for annealed sample, namely L2 1 and B2. The obtained value for magnetic moment of annealed sample is smaller than the as-milled sample due to the presence of disordered B2 phase and improvement of phase separation.

  4. Enhanced thermoelectric figure of merit of p-type half-Heuslers.

    PubMed

    Yan, Xiao; Joshi, Giri; Liu, Weishu; Lan, Yucheng; Wang, Hui; Lee, Sangyeop; Simonson, J W; Poon, S J; Tritt, T M; Chen, Gang; Ren, Z F

    2011-02-01

    Half-Heuslers would be important thermoelectric materials due to their high temperature stability and abundance if their dimensionless thermoelectric figure of merit (ZT) could be made high enough. The highest peak ZT of a p-type half-Heusler has been so far reported about 0.5 due to the high thermal conductivity. Through a nanocomposite approach using ball milling and hot pressing, we have achieved a peak ZT of 0.8 at 700 °C, which is about 60% higher than the best reported 0.5 and might be good enough for consideration for waste heat recovery in car exhaust systems. The improvement comes from a simultaneous increase in Seebeck coefficient and a significant decrease in thermal conductivity due to nanostructures. The samples were made by first forming alloyed ingots using arc melting and then creating nanopowders by ball milling the ingots and finally obtaining dense bulk by hot pressing. Further improvement in ZT is expected when average grain sizes are made smaller than 100 nm.

  5. Thermoelectric properties of ultra-low thermal conductivity half-Heusler alloy

    NASA Astrophysics Data System (ADS)

    Mallick, Md. Mofasser; Vitta, Satish

    2016-05-01

    The half-Heusler alloy HfNiGe has been synthesized by arc melting from high purity elements followed by annealing at 1000 K for 6 days to homogenize completely. The X-ray diffraction pattern indicates the presence of mainly an orthorhombic phase with small amount of other binary phases. The electrical resistivity is found to be low and increases slightly with temperature from 14 µΩ-m to 24 µΩ-m, indicating a semi metallic behavior. As a result the Seebeck coefficient is found to be low and also increases with temperature from -11 µV K-1 to -19.5 µV K-1. The thermal conductivity has been determined using a combination of heat capacity and thermal diffusivity. It decreases from ~ 1.9 Wm-1K-1 at room temperature to ~ 0.007 Wm-1K-1 at 843 K, an extremely low value for a half-Heusler alloy. The thermal conductivity reduction is found to be mainly due to a sharp decrease in heat capacity for T> 650 K. This leads to a divergence of figure of merit at high temperatures, >800K, from ~0.05 to 2 at 843 K.

  6. Enhancement of ferromagnetism by Ag doping in Ni-Mn-In-Ag Heusler alloys

    NASA Astrophysics Data System (ADS)

    Pandey, Sudip; Quetz, Abdiel; Aryal, Anil; Dubenko, Igor; Mazumdar, Dipanjan; Stadler, Shane; Ali, Naushad

    The effect of Ag on the structural, magnetocaloric, and thermomagnetic properties of Ni50Mn35In15-xAgx (x = 0.1, 0.2, 0.5, and 1) Heusler alloys was studied. The magnitude of the magnetization change at martensitic transition temperature (TM) decreases with increasing Ag concentration A smaller magnetic entropy changes (ΔSM) for the alloys with higher Ag concentration is observed. A shift of TM by about 25 K to a higher temperature was detected for P = 6.6 kbar with respect to ambient pressure. Large drop of resistivity is observed with the increase of Ag concentration. The magnetoresistance is dramatically suppressed with increasing Ag concentration due to the weakening of the antiferromagnetic interactions in the martensitic phase. The experimental results demonstrate that Ag substitution in Ni50Mn35In15-xAgx Heusler alloys suppresses the AFM interactions and enhances the FM interactions in the alloys. The possible mechanisms responsible for the observed behavior are discussed. Acknowledgement: This work was supported by the Office of Basic Energy Sciences, Material Science Division of the U.S. Department of Energy (DOE Grant No. DE-FG02-06ER46291 and DE-FG02-13ER46946).

  7. Half-metallic Ni2MnSn Heusler alloy prepared by rapid quenching

    NASA Astrophysics Data System (ADS)

    Nazmunnahar, M.; Ryba, T.; del Val, J. J.; Ipatov, M.; González, J.; Hašková, V.; Szabó, P.; Samuely, P.; Kravcak, J.; Vargova, Z.; Varga, R.

    2015-07-01

    We have employed melt-spinning method to produce Ni2MnSn-based half-metallic Heusler alloy. It allows fast and simple production of large amount of materials in a single production step avoiding high temperature post-production annealing. Microstructural, magnetic and spin polarization study of Ni2MnSn ribbon is used for characterization. SEM analysis reveals the polycrystalline structure with the columnar crystals grown perpendicularly to the ribbon plane. A single-phase austenite with L21 structure was confirmed by X-ray. Magnetic measurements shows the ordinary ferromagnetic behavior with Curie temperature 344 K and magnetic moment 4.08 μB/f.u. Particular crystal structure leads to the well defined anisotropy having an easy plane in the ribbon's plane. Finally, the spin polarization parameter P0 estimated by Point-Contact Andreev-reflection Spectroscopy is varying in the range 40-70% for Ni2MnSn which is comparable with other values reported earlier for other Heusler alloys.

  8. Evidence of half-metallic interface magnetism via local moment formation in Co based Heusler alloys

    SciTech Connect

    Telling, N. D.; Keatley, P.S.; van der Laan, G.; Hicken, R.J.; Arenholz, E.; Sakuraba, Y.; Oogane, M.; Ando, Y.; Miyazaki, T.

    2008-08-18

    In this work we use a combination of x-ray magnetic circular and linear dichroism (XMCD and XMLD) techniques to examine the formation of local moments in Heusler alloys of the composition Co{sub 2}MnX (where X=Si or Al). The existence of local moments in a half-metallic system is reliant upon the band gap in the minority-spin states. By utilizing the element-specific nature of x-ray techniques we are able to explore the origin of the minority-spin band gap in the partial density of states (PDOS), via the degree of localization of moments on Co and Mn atoms. We observe a crucial difference in the localization of the Co moment when comparing Co{sub 2}MnSi (CMS) and Co{sub 2}MnAl (CMA) films that is consistent with the predicted larger minority-spin gap in the Co PDOS for CMS. These results provide important evidence for the dominant role of the Co minority-spin states in realizing half-metallic ferromagnetism (HMF) in these Heusler alloys. They also demonstrate a direct method for measuring the degree of interfacial HMF in the raw materials without the need for fabricating spin-transport devices.

  9. Onset of itinerant ferromagnetism associated with semiconductor-metal transition in TixNb1-xCoSn half Heusler solid solution com- pounds

    NASA Astrophysics Data System (ADS)

    Kouacou, M. A.; Koua, A. A.; Zoueu, J. T.; Konan, K.; Pierre, J.

    2008-07-01

    In this paper, the magnetic and transport properties of the Ti_{x}Nb_{1-x}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 semiconducting state as it is the case in the TiCo_{x}Ni_{1-x}Sn series studied previously. A weak quantity of Ti in NbCoSn is sufficient to allow the appearance of ferromagnetic order and metallic state. The variations of the Curie temperature as a function of saturation and effective paramagnetic moments are related to the itinerant ferromagnetism model. A comparison is made with the TiCoSn_{x}Sb_{1-x} series (also studied previously), where the transition from TiCoSn ferromagnetic metal to non-magnetic semiconductor TiCoSb occurs through an intermediate metallic Pauli-like state.

  10. Electronic structure, magnetism, and antisite disorder in CoFeCrGe and CoMnCrAl quaternary Heusler alloys

    DOE PAGESBeta

    Enamullah, .; Venkateswara, Y.; Gupta, Sachin; Varma, Manoj Raama; Singh, Prashant; Suresh, K. G.; Alam, Aftab

    2015-12-10

    In this study, we present a combined theoretical and experimental study of two quaternary Heusler alloys CoFeCrGe (CFCG) and CoMnCrAl (CMCA), promising candidates for spintronics applications. Magnetization measurement shows the saturation magnetization and transition temperature to be 3 μB, 866 K and 0.9 μB, 358 K for CFCG and CMCA respectively. The magnetization values agree fairly well with our theoretical results and also obey the Slater-Pauling rule, a prerequisite for half metallicity. A striking difference between the two systems is their structure; CFCG crystallizes in fully ordered Y-type structure while CMCA has L21 disordered structure. The antisite disorder adds amore » somewhat unique property to the second compound, which arises due to the probabilistic mutual exchange of Al positions with Cr/Mn and such an effect is possibly expected due to comparable electronegativities of Al and Cr/Mn. Ab initio simulation predicted a unique transition from half metallic ferromagnet to metallic antiferromagnet beyond a critical excess concentration of Al in the alloy.« less

  11. Electronic structure, magnetism, and antisite disorder in CoFeCrGe and CoMnCrAl quaternary Heusler alloys

    SciTech Connect

    Enamullah, .; Venkateswara, Y.; Gupta, Sachin; Varma, Manoj Raama; Singh, Prashant; Suresh, K. G.; Alam, Aftab

    2015-12-10

    In this study, we present a combined theoretical and experimental study of two quaternary Heusler alloys CoFeCrGe (CFCG) and CoMnCrAl (CMCA), promising candidates for spintronics applications. Magnetization measurement shows the saturation magnetization and transition temperature to be 3 μB, 866 K and 0.9 μB, 358 K for CFCG and CMCA respectively. The magnetization values agree fairly well with our theoretical results and also obey the Slater-Pauling rule, a prerequisite for half metallicity. A striking difference between the two systems is their structure; CFCG crystallizes in fully ordered Y-type structure while CMCA has L21 disordered structure. The antisite disorder adds a somewhat unique property to the second compound, which arises due to the probabilistic mutual exchange of Al positions with Cr/Mn and such an effect is possibly expected due to comparable electronegativities of Al and Cr/Mn. Ab initio simulation predicted a unique transition from half metallic ferromagnet to metallic antiferromagnet beyond a critical excess concentration of Al in the alloy.

  12. Electronic, magnetic and thermal properties of Co2CrxFe1-xX (X=Al, Si) Heusler alloys: First-principles calculations

    NASA Astrophysics Data System (ADS)

    Guezlane, M.; Baaziz, H.; El Haj Hassan, F.; Charifi, Z.; Djaballah, Y.

    2016-09-01

    Density functional theory (DFT) based on the full-potential linearized augmented plane wave (FP-LAPW) method is used to investigate the structural, electronic, magnetic and thermal properties of Co2CrxFe1-xX (X=Al, Si) full Heusler alloys, with L21 structure. The structural properties and spin magnetic moments are investigated by the generalized gradient approximations (GGA) minimizing the total energy. For band structure calculations, GGA, the Engel-Vosko generalized gradient approximation (EVGGA) and modified Becke-Johnson (mBJ) schemes are used. Results of density of states (DOS) and band structures show that these alloys are half-metallic ferromagnets (HMFS). A regular-solution model has been used to investigate the thermodynamic stability of the compounds Co2CrxFe1-xX that indicates a phase miscibility gap. The thermal effects using the quasi-harmonic Debye model are investigated within the lattice vibrations. The temperature and pressure effects on the heat capacities, Debye temperatures and entropy are determined from the non-equilibrium Gibbs functions.

  13. Theoretical investigations of half-metallic ferromagnetism in new Half-Heusler YCrSb and YMnSb alloys using first-principle calculations

    NASA Astrophysics Data System (ADS)

    Atif Sattar, M.; Rashid, Muhammad; Hashmi, M. Raza; Ahmad, S. A.; Imran, Muhammad; Hussain, Fayyaz

    2016-10-01

    Structural, electronic, and magnetic properties of new predicted half-Heusler YCrSb and YMnSb compounds within the ordered MgAgAs C1b-type structure are investigated by employing first-principal calculations based on density functional theory. Through the calculated total energies of three possible atomic placements, we find the most stable structures regarding YCrSb and YMnSb materials, where Y, Cr(Mn), and Sb atoms occupy the (0.5, 0.5, 0.5), (0.25, 0.25, 0.25), and (0, 0, 0) positions, respectively. Furthermore, structural properties are explored for the non-magnetic and ferromagnetic and anti-ferromagnetic states and it is found that both materials prefer ferromagnetic states. The electronic band structure shows that YCrSb has a direct band gap of 0.78 eV while YMnSb has an indirect band gap of 0.40 eV in the majority spin channel. Our findings show that YCrSb and YMnSb materials exhibit half-metallic characteristics at their optimized lattice constants of 6.67 Å and 6.56 Å, respectively. The half-metallicities associated with YCrSb and YMnSb are found to be robust under large in-plane strains which make them potential contenders for spintronic applications.

  14. Thermal and electronic charge transport in bulk nanostructured Zr{sub 0.25}Hf{sub 0.75}NiSn composites with full-Heusler inclusions

    SciTech Connect

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

    2011-11-15

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

  15. Comparing magnetostructural transitions in Ni50Mn18.75Cu6.25Ga25 and Ni49.80Mn34.66In15.54 Heusler alloys

    NASA Astrophysics Data System (ADS)

    Dubenko, Igor; Granovsky, Alexander; Lahderanta, Erkki; Kashirin, Maxim; Makagonov, Vladimir; Aryal, Anil; Quetz, Abdiel; Pandey, Sudip; Rodionov, Igor; Samanta, Tapas; Stadler, Shane; Mazumdar, Dipanjan; Ali, Naushad

    2016-03-01

    The crystal structure, magnetic and transport properties, including resistivity and thermopower, of Ni50Mn18.75Cu6.25Ga25 and Ni49.80Mn34.66In15.54 Heusler alloys were studied in the (10-400) K temperature interval. We show that their physical properties are remarkably different, thereby pointing to different origin of their magnetostructural transition (MST). A Seebeck coefficient (S) was found to pass minimum of about -20 μV/K in respect of temperature for both compounds. It was shown that MST observed for both compounds results in jump-like changes in S for Ga-based compound and jump in resistivity of about 20 and 200 μΩ cm for Ga and In -based compounds, respectively. The combined analyzes of the present results with that from literature show that the density of states at the Fermi level does not change strongly at the MST in the case of Ni-Mn-In alloys as compared to that of Ni-Mn-Ga.

  16. A unified approach to describe the thermal and magnetic hysteresis in Heusler alloys

    NASA Astrophysics Data System (ADS)

    Blázquez, J. S.; Franco, V.; Conde, A.; Gottschall, T.; Skokov, K. P.; Gutfleisch, O.

    2016-09-01

    Different excitations, like temperature, magnetic field, or pressure, can drive a martensitic transition in Heusler alloys. Coupled phenomena in these materials lead to interesting magnetocaloric and barocaloric effects ascribed to this transition. In this work, we demonstrate that isothermal transformations induced by a magnetic field and isofield transformations induced by the temperature can be described using the same framework. By defining an effective temperature that relates field and temperature through the properties of the system (magnetic moment and entropy of the transition), both kinds of loops can be transformed into the other kind, therefore providing a more effective way of characterizing hysteretic samples. The validity of this effective temperature approach to describe the transition holds for martensite to austenite transformations as well as reversal ones, and thus, the hysteresis phenomena can be described using this single general excitation.

  17. Electrical transport properties of TiCoSb half-Heusler phases that exhibit high resistivity

    NASA Astrophysics Data System (ADS)

    Xia, Y.; Ponnambalam, V.; Bhattacharya, S.; Pope, A. L.; Poon, S. J.; Tritt, T. M.

    2001-01-01

    Electrical transport measurements have been performed on doped and undoped TiCoSb half-Heusler phases. The semiconducting properties are found to be more robust than those reported for MNiSn (M = Ti, Zr, Hf ). Undoped TiCoSb phases exhibit large n-type Seebeck coefficients and high resistivities that reach -500 µV K-1 at 300 K and ~1500 Ω cm at 4.2 K, respectively. A tendency towards carrier localization is seen in several disordered phases. The effects due to n-type and p-type dopants are readily manifested in the thermopower, from which moderately heavy electron and hole band masses are inferred. The unusual properties measured are consistent with the prediction of a wide bandgap for the TiCoSb phase. A resistivity minimum is observed at 500-600 K for undoped and V-doped TiCoSb. Consequently, the semiconducting gap has not been determined.

  18. Thermoelectric properties of semimetallic (Zr, Hf)CoSb half-Heusler phases

    NASA Astrophysics Data System (ADS)

    Xia, Y.; Bhattacharya, S.; Ponnambalam, V.; Pope, A. L.; Poon, S. J.; Tritt, T. M.

    2000-08-01

    Unlike semiconducting TiCoSb, ZrCoSb and HfCoSb half-Heusler phases are semimetallic below room temperature and exhibit small Seebeck coefficients of ˜-10 μV/K at 300 K. However, upon substituting (doping) the Co and Sb sites with Pt and Sn, respectively, much larger thermopowers (S) are obtained. For ZrCoSb, S reaches -110 and +130 μV/K while resistivity ρ decreases from ˜5×104 μΩ cm in the undoped phase to 1-2×103 μΩ cm in the substituted phases at 300 K. The lowest thermal conductivity obtained in the substituted alloys is ˜3.0 W/m K at 300 K, which is among the lowest reported for this class of structural phases. There are indications that the thermoelectric properties have not been optimized in these multinary alloys.

  19. Magnetic properties and atomic ordering of BCC Heusler alloy Fe2MnGa ribbons

    NASA Astrophysics Data System (ADS)

    Xin, Yuepeng; Ma, Yuexing; Luo, Hongzhi; Meng, Fanbin; Liu, Heyan

    2016-05-01

    The electronic structure, atomic disorder and magnetic properties of the Heusler alloy Fe2MnGa have been investigated experimentally and theoretically. BCC Fe2MnGa ribbon samples were prepared. Experimentally, a saturation magnetic moment (3.68 μB at 5 K) much larger than the theoretical value (2.04 μB) has been reported. First-principles calculations indicate that the difference is related to the Fe-Mn disorder between A, B sites, as can also be deduced from the XRD pattern. L21 type Fe2MnGa is a ferrimagnet with antiparallel Fe and Mn spin moments. However, when Fe-Mn disorder occurs, part of Mn moments will be parallel to Fe moments, and the Fe moments also clearly increase simultaneously. All this results in a total moment of 3.74 μB, close to the experimental value.

  20. Fabrication and characterization of the gapless half-Heusler YPtSb thin films

    SciTech Connect

    Wang Wenhong; Du Yin; Liu Enke; Wu, G. H.; Liu Zhongyuan

    2012-11-15

    Half-Heusler YPtSb thin films were fabricated by magnetron co-sputtering method on MgO-buffered SiO{sub 2}/Si(001) substrates. X-ray diffraction pattern and energy dispersive X-ray spectroscopy confirmed the high-quality growth and stoichiometry. The temperature dependence of the resistivity shows a semiconducting-type behavior down to low temperature. The Hall mobility was determined to be 450 cm{sup 2}/V s at 300 K, which is much higher than the bulk value ({approx}300 cm{sup 2}/V s). In-plane magnetoresistance (MR) measurements with fields applied along and perpendicular to the current direction show opposite MR signs, which suggest the possible existence of the topological surface states.

  1. Ferromagnetic exchange interaction between Co and Mn in the Heusler alloy CuCoMnAl

    SciTech Connect

    Feng, L.; Ma, L.; Zhu, Z. Y.; Zhu, W.; Liu, E. K.; Chen, J. L.; Wu, G. H.; Meng, F. B.; Liu, H. Y.; Luo, H. Z.; Li, Y. X.

    2010-01-15

    The ferromagnetic exchange interaction between Co and Mn in Heusler alloys has been phenomenologically investigated by analyzing the composition dependence of the magnetic moment and the Curie temperature in a series of quaternary CuCoMnAl alloys. The curves of the composition dependence of the magnetic moment show an interesting valleylike profile and their minima are positioned at different Co contents for different Mn concentrations. The ferromagnetic Co-Mn exchange interaction is a short-range effect which is only effective at the nearest-neighbor distance. At this distance, the exchange interaction can be further enhanced by a Mn-rich composition, but it might be destroyed by the lattice distortion due to the martensitic transformation.

  2. Exchange bias effects in Heusler alloy Ni2MnAl/Fe bilayers

    NASA Astrophysics Data System (ADS)

    Tsuchiya, Tomoki; Kubota, Takahide; Sugiyama, Tomoko; Huminiuc, Teodor; Hirohata, Atsufumi; Takanashi, Koki

    2016-06-01

    Ni2MnAl Heusler alloy thin films were epitaxially grown on MgO(1 0 0) single crystal substrates by ultra-high-vacuum magnetron sputtering technique. X-ray diffraction and transmission electron microscopy observation revealed that the structures of all the Ni2MnAl thin films were B2-ordered regardless of the deposition temperature ranging from room temperature to 600 °C. The temperature dependence of electrical resistivity showed a kink about 280 K, which was consistent with a reported value of the Néel temperature for antiferromagnetic B2-Ni2MnAl. The magnetization curves of Ni2MnAl/Fe bilayer samples showed a shift caused by the interfacial exchange interaction at 10 K. The maximum value of the exchange bias field H ex was 55 Oe corresponding to the exchange coupling energy J k of 0.03 erg cm-2.

  3. The Potential of FeVSb Half-Heusler Phase for Practical Thermoelectric Material

    NASA Astrophysics Data System (ADS)

    Yamamoto, Akio; Takeuchi, Tsunehiro

    2016-07-01

    The electronic structure and electron transport properties of FeVSb half-Heusler phase were calculated using first-principles calculations and Boltzmann transport equation. We found, as a result of theoretical calculations, that the magnitude of the dimensionless of figure of merit (ZT) could be increased up to ˜0.84 due to the drastic increase of the power factor when the carrier concentration of p-type FeVSb is optimized through element substitution to vary the valence electron concentration. We revealed that this large increase in ZT is closely related to the significant variations both in electronic density of states and spectral conductivity with decreasing energy at the top of the valence band.

  4. On the rich magnetic phase diagram of (Ni, Co)-Mn-Sn Heusler alloys

    NASA Astrophysics Data System (ADS)

    Grünebohm, A.; Herper, H. C.; Entel, P.

    2016-10-01

    We put a spotlight on the exceptional magnetic properties of the metamagnetic Heusler alloy (Ni, Co)-Mn-Sn by means of first principles simulations. In the energy landscape we find a multitude of local minima, which belong to different ferrimagnetic states and are close in total magnetization and energy. All these magnetic states correspond to the local high spin state of the Mn atoms with different spin alignments and are related to the magnetic properties of Mn. Compared to pure Mn, the magneto-volume coupling is reduced by Ni, Co and Sn atoms in the lattice and no local low-spin Mn states appear. For the cubic phase we find a ferromagnetic ground state whereas the global energy minimum is a tetragonal state with a complicated spin structure and vanishing magnetization which so far has been overlooked in simulations.

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

    NASA Astrophysics Data System (ADS)

    Chen, Y. S.; Lin, J. G.; Titov, I. S.; Granovsky, A. B.

    2016-06-01

    Shape memory Heusler alloy Ni50Mn35In12Si3 is investigated with electron spin resonance (ESR) technique in a temperature range of 200-300 K. ESR is a dynamic probe allowing us to separate the responses from various magnetic phases, thus to study the complex phase transitions. The sample shows three transition temperatures: TcA (271 K), TM (247 K) and TcM (212 K), where TcA is the Curie temperature of austenitic phase, TM and TcM are the temperatures of magnetostructural martensitic transition and the Curie temperature of martensitic phase, respectively. Furthermore, ESR data reveals the coexistence of two magnetic modes in whole temperature range of 200-300 K. Particularly in martensitic phase, two magnetic modes are attributed to two different kinds of lattice deformation, the slip and twinning deformations.

  6. Magnetic and structural anisotropies of Co2FeAl Heusler alloy epitaxial thin films

    NASA Astrophysics Data System (ADS)

    Gabor, M. S.; Petrisor, T., Jr.; Tiusan, C.; Hehn, M.; Petrisor, T.

    2011-10-01

    This paper shows the correlation between chemical order, lattice strains, and magnetic properties of Heusler Co2FeAl films epitaxially grown on MgO(001). A detailed magnetic characterization is performed using vector-field magnetometery combined with a numerical Stoner-Wohlfarth analysis. We demonstrate the presence of three types of in-plane anisotropies: one biaxial, as expected for the cubic symmetry, and two uniaxial. The three anisotropies show different behavior with the annealing temperature. The biaxial anisotropy shows a monotonic increase. The uniaxial anisotropy that is parallel to the hard biaxial axes (related to chemical homogeneity) decreases, while the anisotropy that is supposed to have a magnetostatic origin remains constant.

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

    NASA Astrophysics Data System (ADS)

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

    2014-08-01

    We report on a systematic study of the structural, magnetic properties and the anomalous Hall effect, in the Heusler alloy Co2FeAl (CFA) epitaxial films on MgO (001), as a function of film thickness. It was found that the epitaxial CFA films show a highly ordered B2 structure with an in-plane uniaxial magnetic anisotropy. The electrical transport properties reveal that the lattice and magnon scattering contributions to the longitudinal resistivity. Independent on the thickness of films, the anomalous Hall resistivity of CFA films is found to be dominated by skew scattering only. Moreover, the anomalous Hall resistivity shows weakly temperature dependent behavior, and its absolute value increases as the thickness decreases. We attribute this temperature insensitivity in the anomalous Hall resistivity to the weak temperature dependent of tunneling spin-polarization in the CFA films, while the thickness dependence behavior is likely due to the increasing significance of interface or free surface electronic states.

  8. Static and dynamic magnetic properties of epitaxial Co2FeAl Heusler alloy thin films

    NASA Astrophysics Data System (ADS)

    Ortiz, G.; Gabor, M. S.; Petrisor, T., Jr.; Boust, F.; Issac, F.; Tiusan, C.; Hehn, M.; Bobo, J. F.

    2011-04-01

    Structural and magnetic properties of epitaxial Co2FeAl Heusler alloy thin films were investigated. Films were deposited on single crystal MgO (001XS) substrates at room temperature, followed by an annealing process at 600 °C. MgO and Cr buffer layers were introduced in order to enhance crystalline quality, and improve magnetic properties. Structural analyses indicate that samples have grown in the B2 ordered epitaxial structure. VSM measures show that the MgO buffered sample displays a magnetization saturation of 1010 ± 30 emu/cm3, and Cr buffered sample displays a magnetization saturation of 1032 ± 40 emu/cm3. Damping factor was studied by strip-line ferromagnetic resonance measures. We observed a maximum value for the MgO buffered sample of about 8.5 × 10-3, and a minimum value of 3.8 × 10-3 for the Cr buffered one.

  9. Laser-induced THz magnetization precession for a tetragonal Heusler-like nearly compensated ferrimagnet

    NASA Astrophysics Data System (ADS)

    Mizukami, S.; Sugihara, A.; Iihama, S.; Sasaki, Y.; Suzuki, K. Z.; Miyazaki, T.

    2016-01-01

    Laser-induced magnetization precessional dynamics was investigated in epitaxial films of Mn3Ge, which is a tetragonal Heusler-like nearly compensated ferrimagnet. The ferromagnetic resonance (FMR) mode was observed, the precession frequency for which exceeded 0.5 THz and originated from the large magnetic anisotropy field of approximately 200 kOe for this ferrimagnet. The effective damping constant was approximately 0.03. The corresponding effective Landau-Lifshitz constant is approximately 60 Mrad/s and is comparable with those of the similar Mn-Ga materials. The physical mechanisms for the Gilbert damping and for the laser-induced excitation of the FMR mode were also discussed in terms of the spin-orbit-induced damping and the laser-induced ultrafast modulation of the magnetic anisotropy, respectively.

  10. Evolution of the electronic structure and optical properties of iron-based Heusler alloys

    NASA Astrophysics Data System (ADS)

    Shreder, E. I.; Svyazhin, A. D.; Makhnev, A. A.

    2015-12-01

    The optical properties of Heusler alloys Fe2 MeAl ( Me = Ti, V, Cr, Mn, Fe, Co, or Ni) and Fe2MnSi have been studied, and their optical spectra have been calculated. Substitution for the Me atom is found to cause significant changes in the band-energy spectrum, especially in the vicinity of the Fermi level. These changes are accompanied by considerable variations in the optical characteristics of alloys. The optical properties of Fe2 MeAl alloys ( Me = Ti, Fe, Co, or Ni) are typical of metals. The anomalous behavior of the optical properties of alloys with Me = V, Cr, or Mn is determined by the electronic states at the Fermi level.

  11. High tunneling magnetoresistance ratio in perpendicular magnetic tunnel junctions using Fe-based Heusler alloys

    NASA Astrophysics Data System (ADS)

    Wang, Yu-Pu; Lim, Sze-Ter; Han, Gu-Chang; Teo, Kie-Leong

    2015-12-01

    Heulser alloys Fe2Cr1-xCoxSi (FCCS) with different Co compositions x have been predicted to have high spin polarization. High perpendicular magnetic anisotropy (PMA) has been observed in ultra-thin FCCS films with magnetic anisotropy energy density up to 2.3 × 106 erg/cm3. The perpendicular magnetic tunnel junctions (p-MTJs) using FCCS films with different Co compositions x as the bottom electrode have been fabricated and the post-annealing effects have been investigated in details. An attractive tunneling magnetoresistance ratio as high as 51.3% is achieved for p-MTJs using Fe2CrSi (FCS) as the bottom electrode. The thermal stability Δ can be as high as 70 for 40 nm dimension devices using FCS, which is high enough to endure a retention time of over 10 years. Therefore, Heusler alloy FCS is a promising PMA candidate for p-MTJ application.

  12. Ab initio studies of Co2FeAl1-xSix Heusler alloys

    NASA Astrophysics Data System (ADS)

    Szwacki, N. Gonzalez; Majewski, Jacek A.

    2016-07-01

    We present results of extensive theoretical studies of Co2FeAl1-xSix Heusler alloys, which have been performed in the framework of density functional theory employing the all-electron full-potential linearized augmented plane-wave scheme. It is shown that the Si-rich alloys are more resistive to structural disorder and as a consequence Si stabilizes the L21 structure. Si alloying changes position of the Fermi level, pushing it into the gap of the minority spin-band. It is also shown that the hyperfine field on Co nuclei increases with the Si concentration, and this increase originates mostly from the changes in the electronic density of the valence electrons.

  13. Effect of isoelectronic substitution on magnetic properties of Ni(2)Mn(GaB) Heusler alloys.

    PubMed

    Gautam, Bhoj Raj; Dubenko, Igor; Pathak, Arjun Kumar; Stadler, Shane; Ali, Naushad

    2008-11-19

    We have studied the structural and magnetic properties of Ni(2)MnGa(1-x)B(x) Heusler alloys with 0≤x≤0.25 using x-ray diffraction, thermal expansion, electrical resistivity, and magnetization measurements. The magnetization measurements were made within the temperature interval of 5-400 K and at applied magnetic field of 0-5 T. The samples with low B concentrations (x<0.05) were found to be of the cubic L2(1) phase at 300 K. A martensitic phase along with the cubic L2(1) phase appears for x≥0.05, and the amount of the martensitic phase was found to increase with increasing x. The critical concentration of the boron substitution (within which Heusler phases exist) was found to be around x = 0.1. The cubic cell parameter was observed to decrease with increasing x in the interval 0≤x≤0.1. The alloys were ferromagnetically ordered at 5 K and the saturation magnetization (M(S)) was found to decrease with increasing boron concentration. The Curie temperatures (T(C)) and martensitic transition temperatures (T(M)) for the alloys with 0≤x≤0.25 have been determined and a phase (T-x) diagram has been constructed. T(M) increases rapidly and T(C) decreases slowly with increasing B concentration in the interval 0≤x≤0.1. The dependence of the phase transition temperatures and magnetization on B concentration is discussed.

  14. Simultaneous large enhancements in thermopower and electrical conductivity of bulk nanostructured half-Heusler alloys.

    PubMed

    Makongo, Julien P A; Misra, Dinesh K; Zhou, Xiaoyuan; Pant, Aditya; Shabetai, Michael R; Su, Xianli; Uher, Ctirad; Stokes, Kevin L; Poudeu, Pierre F P

    2011-11-23

    Large reductions in the thermal conductivity of thermoelectrics using nanostructures have been widely demonstrated. Some enhancements in the thermopower through nanostructuring have also been reported. However, these improvements are generally offset by large drops in the electrical conductivity due to a drastic reduction in the mobility. Here, we show that large enhancements in the thermopower and electrical conductivity of half-Heusler (HH) phases can be achieved simultaneously at high temperatures through coherent insertion of nanometer scale full-Heusler (FH) inclusions within the matrix. The enhancements in the thermopower of the HH/FH nanocomposites arise from drastic reductions in the "effective" carrier concentration around 300 K. Surprisingly, the mobility increases drastically, which compensates for the decrease in the carrier concentration and minimizes the drop in the electrical conductivity. Interestingly, the carrier concentration in HH/FH nanocomposites increases rapidly with temperature, matching that of the HH matrix at high temperatures, whereas the temperature dependence of the mobility significantly deviates from the typical T(-α) law and slowly decreases (linearly) with rising temperature. This remarkable interplay between the temperature dependence of the carrier concentration and mobility in the nanocomposites results in large increases in the power factor at 775 K. In addition, the embedded FH nanostructures also induce moderate reductions in the thermal conductivity leading to drastic increases in the ZT of HH(1 - x)/FH(x) nanocomposites at 775 K. By combining transmission electron microscopy and charge transport data, we propose a possible charge carrier scattering mechanism at the HH/FH interfaces leading to the observed anomalous electronic transport in the synthesized HH(1 - x)/FH(x) nanocomposites.

  15. Phase Stability of L21 Phase in Co-BASED Heusler Alloys

    NASA Astrophysics Data System (ADS)

    Umetsu, Rie Y.; Okubo, Akinari; Nagasako, Makoto; Ohtsuka, Makoto; Kainuma, Ryosuke; Ishida, Kiyohito

    2014-10-01

    Order-disorder phase transition temperature from L21 to B2 phase, TtL21/B2, in Co-based Heusler alloys was systematically investigated based on the Braggs-Williams-Gorsky (BWG) approximation. Because height of TtL21/B2 closely correlates to phase stability of the L21 phase, confirmation of TtL21/B2 would be a key to obtain a highly ordered L21 phase. From modification with the BWG approximation it was shown that the degree of order indicated temperature dependence, namely, the degree of order decreased above around 0.6 TtL21/B2 and reached zero at TtL21/B2. Therefore, it should be better to select the Co-based Heusler alloys with a higher value of TtL21/B2 if the higher degree of order in the L21 phase is desired by thermal annealing at as low temperature as possible. From powder neutron diffraction (ND) studies of Co2YGa (Y = Ti, V, Cr, Mn and Fe) alloys it was actually confirmed that materials with higher value of TtL21/B2 indicated higher degree of order even in the same annealing temperature. Studies for the phase state in Co-Ti-Fe-Ga films also showed that a height of TtL21/B2 concretely correlated to the phase stability of the L21 phases, that is, the specimen with higher value of TtL21/B2 was easy to obtain with a higher degree of order.

  16. Large linear magnetoresistance and Shubnikov-de Hass oscillations in single crystals of YPdBi Heusler topological insulators.

    PubMed

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

    2013-01-01

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

  17. Antiferromagnetic half-metals, gapless half-metals, and spin gapless semiconductors: The D0{sub 3}-type Heusler alloys

    SciTech Connect

    Gao, G. Y. Yao, Kai-Lun

    2013-12-02

    High-spin-polarization materials are desired for the realization of high-performance spintronic devices. We combine recent experimental and theoretical findings to theoretically design several high-spin-polarization materials in binary D0{sub 3}-type Heusler alloys: gapless (zero-gap) half-metallic ferrimagnets of V{sub 3}Si and V{sub 3}Ge, half-metallic antiferromagnets of Mn{sub 3}Al and Mn{sub 3}Ga, half-metallic ferrimagnets of Mn{sub 3}Si and Mn{sub 3}Ge, and a spin gapless semiconductor of Cr{sub 3}Al. The high spin polarization, zero net magnetic moment, zero energy gap, and slight disorder compared to the ternary and quaternary Heusler alloys make these binary materials promising candidates for spintronic applications. All results are obtained by the electronic structure calculations from first-principles.

  18. Ab initio study of 59Co NMR spectra in Co2FeAl1-xSix Heusler alloys

    NASA Astrophysics Data System (ADS)

    Nishihara, H.; Sato, K.; Akai, H.; Takiguchi, C.; Geshi, M.; Kanomata, T.; Sakon, T.; Wada, T.

    2015-05-01

    Ab initio electronic structure calculation of a series of Co2FeAl1-xSix Heusler alloys has been performed, using the Korringa-Kohn-Rostoker-coherent potential approximation method to explain experimental 59Co NMR spectra. Two prominent features are explained semi-quantitatively-a global shift of the 59Co resonance line due to alloying with Al and Si atoms in Co2FeAl1-xSix, and the effect of local disorder in creating distinct satellite lines of 59Co NMR in Co2FeAl. The importance is stressed of the positive contribution to the 59Co hyperfine field from valence electron polarization, which emerges from the half-metallic band structure inherent in Co-based Heusler alloys.

  19. Antiferromagnetic half-metals, gapless half-metals, and spin gapless semiconductors: The D03-type Heusler alloys

    NASA Astrophysics Data System (ADS)

    Gao, G. Y.; Yao, Kai-Lun

    2013-12-01

    High-spin-polarization materials are desired for the realization of high-performance spintronic devices. We combine recent experimental and theoretical findings to theoretically design several high-spin-polarization materials in binary D03-type Heusler alloys: gapless (zero-gap) half-metallic ferrimagnets of V3Si and V3Ge, half-metallic antiferromagnets of Mn3Al and Mn3Ga, half-metallic ferrimagnets of Mn3Si and Mn3Ge, and a spin gapless semiconductor of Cr3Al. The high spin polarization, zero net magnetic moment, zero energy gap, and slight disorder compared to the ternary and quaternary Heusler alloys make these binary materials promising candidates for spintronic applications. All results are obtained by the electronic structure calculations from first-principles.

  20. Nature of electron correlation and hybridization in NixCu1-xMnSb Heusler alloys

    NASA Astrophysics Data System (ADS)

    Sarkar, I.; Yusuf, S. M.; Halder, M.; Gloskovskii, A.; Drube, W.

    2016-08-01

    The electronic structure of Heusler alloys having mixed magnetic phases, comprising of vicinal anti-ferromagnetic and ferromagnetic orders, is of great significance. We present the results of an electronic structure study on NixCu1-xMnSb Heusler alloys, using Mn-2p core-level photoemission spectroscopy. Room temperature data in the paramagnetic phase reveal a non-monotonic variation of both electron correlation strength and conduction-band hybridization such that the former enhances while the latter weakens for compositions showing a mixed phase relative to compositions at the phase boundaries to the ordered phases. The results suggest a possible electronic driving force for settling mixed-magnetic phases.

  1. Anti-site disorder and improved functionality of Mn₂NiX (X = Al, Ga, In, Sn) inverse Heusler alloys

    SciTech Connect

    Paul, Souvik; Kundu, Ashis; Ghosh, Subhradip; Sanyal, Biplab

    2014-10-07

    Recent first-principles calculations have predicted Mn₂NiX (X = Al, Ga, In, Sn) alloys to be magnetic shape memory alloys. Moreover, experiments on Mn₂NiGa and Mn₂NiSn suggest that the alloys deviate from the perfect inverse Heusler arrangement and that there is chemical disorder at the sublattices with tetrahedral symmetry. In this work, we investigate the effects of such chemical disorder on phase stabilities and magnetic properties using first-principles electronic structure methods. We find that except Mn₂NiAl, all other alloys show signatures of martensitic transformations in presence of anti-site disorder at the sublattices with tetrahedral symmetry. This improves the possibilities of realizing martensitic transformations at relatively low fields and the possibilities of obtaining significantly large inverse magneto-caloric effects, in comparison to perfect inverse Heusler arrangement of atoms. We analyze the origin of such improvements in functional properties by investigating electronic structures and magnetic exchange interactions.

  2. Enhanced magnetocaloric effect in a Co-doped Heusler Mn50Ni37Co3In10 unidirectional crystal

    NASA Astrophysics Data System (ADS)

    Ren, Jian; Feng, Shutong; Fang, Yue; Zhai, Qijie; Luo, Zhiping; Zheng, Hongxing

    2016-11-01

    A high-pressure optical zone-melting technique was employed to grow a Mn-rich Heusler Mn50Ni37Co3In10 unidirectional crystal in the present study. It was found that the Co-doped Mn50Ni37Co3In10 unidirectional crystal showed a low magnetic hysteretic loss and a widened working temperature interval in the vicinity of the martensitic transformation. The inverse magnetic entropy change (∆SM) reached 7.84 Jkg-1K-1 around 237.5 K under a magnetic field change of 30 kOe, and the corresponding effective refrigeration capacity (RCeff) was about 127.2 Jkg-1. The experimental results demonstrated a high potential to develop high-performance Mn-rich Heusler Mn-Ni-In magnetocaloric materials by means of Co doping in combination with the high-pressure optical zone-melting fabrication technique.

  3. Magnetic and anomalous electronic transport properties of the quaternary Heusler alloys Co2Ti1-xFexGe

    NASA Astrophysics Data System (ADS)

    Venkateswarlu, B.; Midhunlal, P. V.; Babu, P. D.; Kumar, N. Harish

    2016-06-01

    The half-metallic Heusler alloy Co2TiGe has a ferromagnetic ground state with a low magnetic moment (2 μB). It is free of atomic antisite disorder but has low Curie temperature (~390 K). In contrast the other cobalt based Heusler alloy Co2FeGe has high Curie temperature (~980 K) and high magnetic moment (5.6 μB) while exhibiting antisite disorder and lack of half-metallicity. Hence it is of interest to investigate the magnetic and transport properties of solid solutions of these two materials with contrasting characteristics. We report the structural, magnetic and electronic transport properties of quaternary Co2Ti1-x FexGe (x=0.2, 0.4, 0.6, 0.8) Heusler alloys. The alloys crystallize in L21 structure but with antisite disorder. The magnetization measurements revealed that the alloys were of soft ferromagnetic type with high Curie temperatures. Deviation from Slater-Pauling behavior and drastic change in electronic transport properties with some anomalous features were observed.The complex electronic transport properties have been explained using different scattering mechanisms.

  4. First-principles studies of the Gilbert damping and exchange interactions for half-metallic Heuslers alloys

    NASA Astrophysics Data System (ADS)

    Chico, Jonathan; Keshavarz, Samara; Kvashnin, Yaroslav; Pereiro, Manuel; Di Marco, Igor; Etz, Corina; Eriksson, Olle; Bergman, Anders; Bergqvist, Lars

    2016-06-01

    Heusler alloys have been intensively studied due to the wide variety of properties that they exhibit. One of these properties is of particular interest for technological applications, i.e., the fact that some Heusler alloys are half-metallic. In the following, a systematic study of the magnetic properties of three different Heusler families Co2Mn Z ,Co2FeZ , and Mn2V Z with Z=(Al,Si,Ga,Ge) is performed. A key aspect is the determination of the Gilbert damping from first-principles calculations, with special focus on the role played by different approximations, the effect that substitutional disorder and temperature effects. Heisenberg exchange interactions and critical temperature for the alloys are also calculated as well as magnon dispersion relations for representative systems, the ferromagnetic Co2Fe Si and the ferrimagnetic Mn2V Al . Correlation effects beyond standard density-functional theory are treated using both the local spin density approximation including the Hubbard U and the local spin density approximation plus dynamical mean field theory approximation, which allows one to determine if dynamical self-energy corrections can remedy some of the inconsistencies which were previously reported for these alloys.

  5. Production of copper and Heusler alloy Cu 2MnAl mosaic single crystals for neutron monochromators

    NASA Astrophysics Data System (ADS)

    Courtois, P.; Hamelin, B.; Andersen, K. H.

    2004-08-01

    The growth of high-quality, large single crystals of copper allows the production of very efficient double focusing copper monochromators at ILL. The main difficulty of adapting the crystal mosaic to the instrument requirements has been overcome through the development of specific techniques such as the "onion peel" method and plastic deformations at high temperature. Several instruments have been equipped with new copper monochromators allowing a significant gain in the neutron flux onto the sample. ILL also produces Heusler single crystals with a controlled mosaic for polarized neutrons. Recently, an order of magnitude increase in polarized neutron flux has been reached on the triple axis spectrometer IN20 using a new Heusler monochromator. In addition, the Neutron Optics Laboratory carries out developments in the field of new materials for neutron monochromators. Mixed gradient crystals have been successfully grown with a variation in the d spacing Δ d/ d≈10 -2. Studies on new polarizing crystal alloys are also in progress and NiMnSb Heusler alloy having partially enriched Ni with 60Ni may be interesting for polarized neutron applications.

  6. First-principles study of spin-dependent thermoelectric properties of half-metallic Heusler thin films between platinum leads

    NASA Astrophysics Data System (ADS)

    Comtesse, Denis; Geisler, Benjamin; Entel, Peter; Kratzer, Peter; Szunyogh, László

    2014-03-01

    The electronic and magnetic bulk properties of half-metallic Heusler alloys such as Co2FeSi,Co2FeAl, Co2MnSi, and Co2MnAl are investigated by means of ab initio calculations in combination with Monte Carlo simulations. The electronic structure is analyzed using the plane-wave code quantum espresso and the magnetic exchange interactions are determined using the Korringa-Kohn-Rostoker (KKR) method. From the magnetic exchange interactions, the Curie temperature is obtained via Monte Carlo simulations. In addition, electronic transport properties of trilayer systems consisting of two semi-infinite platinum leads and a Heusler layer in-between are obtained from the fully relativistic screened KKR method by employing the Kubo-Greenwood formalism. The focus is on thermoelectric properties, namely, the Seebeck effect and its spin dependence. It turns out that already thin Heusler layers provide highly spin-polarized currents. This is attributed to the recovery of half-metallicity with increasing layer thickness. The absence of electronic states of spin-down electrons around the Fermi level suppresses the contribution of this spin channel to the total conductance, which strongly influences the thermoelectric properties and results in a spin polarization of thermoelectric currents.

  7. Electronic and Magneto-Transport Across the Heusler Alloy (Co2FeAl)/ p-Si Interfacial Structure

    NASA Astrophysics Data System (ADS)

    Kumar, Arvind; Srivastava, P. C.

    2014-02-01

    Electronic and magneto-transport across the Heusler alloy Co2FeAl (CFA)/ p-Si structure have been studied. The morphology of the Heusler alloy film surface has also been characterized by atomic force microscopy and magnetic force microscopy (MFM). X-ray diffraction data revealed formation of the CFA alloy phase with the L21 structure. MFM results revealed formation of a fine domain structure of average size ˜10 nm and magnetic signal strength 0.23°. The I- V characteristics are strongly temperature-dependent between ˜80 K and 300 K for forward bias, compared with weak temperature dependence on reversing the polarity. At low temperature the I- V characteristics have the features of a backward diode. The observed strong temperature dependence is because of thermionic emission of carriers across the interface. The weak temperature dependence is because of dominant field-emission tunnelling of carriers across the interface. Large magnetic field sensitivity of the reverse current has also been observed. The observed magnetic field sensitivity for the reverse current shows the involvement of electronic spin in transport across the interface, from the Heusler alloy to the silicon. An MR of ˜35% in the presence of a magnetic field was estimated from the I- V data. The study has shown that spin-dependent tunnel transport from the CFA alloy to silicon across the interface results in the observed value of MR, which seems to be because of spin scattering.

  8. Current-perpendicular-to-plane giant magnetoresistive properties in Co2Mn(Ge0.75Ga0.25)/Cu2TiAl/Co2Mn(Ge0.75Ga0.25) all-Heusler alloy pseudo spin valve

    NASA Astrophysics Data System (ADS)

    Li, S.; Takahashi, Y. K.; Sakuraba, Y.; Chen, J.; Furubayashi, T.; Mryasov, O.; Faleev, S.; Hono, K.

    2016-03-01

    Nonmagnetic Cu2TiAl (CTA) Heusler compound is proposed as a new spacer material for all-Heusler alloy current-perpendicular-to-plane giant magnetoresistance devices based on first-principle calculations. The (001)-orientated Co2Mn(Ge0.75Ga0.25) (CMGG)/CTA/CMGG epitaxial pseudo spin valve (PSV) grown on MgO(100) single crystal substrate showed relatively large MR output, ΔR A ˜5.4 mΩ μm2, which is comparable to that of the CMGG/Ag/CMGG PSV prepared with the same condition. Considering the short spin diffusion length in CTA, this result indicates a better electronic band matching for the CTA/CMGG interface than the Ag/CMGG interface in agreement with the first-principle calculation results. (001)- and (011)-orientated CMGG/CTA/CMGG PSV show similar MR outputs, indicating that the CTA spacer suppresses the orientation dependence of MR output which is usually observed in Ag-spacer CPP-PSV.

  9. Correlation between processing conditions, microstructure and charge transport in half-Heusler alloys

    SciTech Connect

    Makongo, Julien P.A.; Zhou, Xiaoyuan; Misra, Dinesh K.; Uher, Ctirad; Poudeu, Pierre F.P.

    2013-05-01

    Five bulk samples of n-type Zr₀.₂₅Hf₀.₇₅NiSn₀.₉₇₅Sb₀.₀₂₅ half-Heusler (HH) alloy were fabricated by reacting elemental powders via (1) high temperature solid state (SS) reaction and (2) mechanical alloying (MA), followed by densification using spark plasma sintering (SPS) and/or hot pressing (HP). A portion of the sample obtained by SS reaction was mechanically alloyed before consolidation by hot pressing (SS–MA–HP). X-ray powder diffraction and transmission electron microscopy studies revealed that all SS specimen (SS–SPS, SS–HP, SS–MA–HP) are single phase HH alloys, whereas the MA sample (MA–SPS) contains metallic nanoprecipitates. Electronic and thermal transport measurements showed that the embedded nanoprecipitates induce a drastic increase in the carrier concentration (n), a large decrease in the Seebeck coefficient (S) and a marginal decrease in the lattice thermal conductivity (κl) of the MA–SPS sample leading to lower ZT values when compared to the SS–HP samples. Constant values of S are observed for the SS series regardless of the processing method. However, a strong dependence of the carrier mobility (μ), electrical conductivity (σ) and κl on the processing and consolidation method is observed. For instance, mechanical alloying introduces additional structural defects which enhance electron and phonon scattering leading to moderately low values of μ and large reduction in κl. This results in a net 20% enhancement in the figure of merit (ZT=0.6 at 775 K). HH specimen of the same nominal composition with higher ZT is anticipated from a combination of SS reaction, MA and SPS (SS–MA–SPS). - Graphical abstract: In half-Heusler alloys, thermopower values are insensitive to processing method, whereas carrier mobility (μ), electrical conductivity (σ), and κl strongly dependent on the microstructure which in turn is altered by the synthesis, processing and

  10. Thermoelectric properties of the Heusler-type Fe{sub 2}VTa{sub x}Al{sub 1−x} alloys

    SciTech Connect

    Renard, Krystel Mori, Arinori; Yamada, Yuichiro; Tanaka, Suguru; Nishino, Yoichi; Miyazaki, Hidetoshi

    2014-01-21

    This study focuses on the thermoelectric properties of the Heusler-type Fe{sub 2}VTa{sub x}Al{sub 1−x} alloys (0≤x≤0.12). By means of Rietveld analyses on synchrotron X-ray diffraction patterns, it is shown that the Ta atoms enter sites occupied by V atoms in the stoichiometric Fe{sub 2}VAl alloy, while the ejected V atoms are transferred to the vacant Al sites. This Ta substitution leads to an improvement of the n-type thermoelectric properties owing to two mechanisms. On the one hand, the atoms position in the structure leads to an off-stoichiometric effect such as already observed in V-rich Fe{sub 2}V{sub 1+y}Al{sub 1−y} compounds: the Seebeck coefficient is increased towards negative absolute values and the electrical resistivity is decreased, with a large shift of their peak temperature towards higher temperature. The maximum power factor is 6.5 × 10{sup −3} W/mK{sup 2} for x = 0.05 at 340 K. On the other hand, the heavy element Ta substitution combined with this off-stoichiometric effect leads to a large decrease of the thermal conductivity, owing to an increase of the scattering events. Consequently, the dimensionless figure of merit is seen to reach higher values than for the Fe{sub 2}V{sub 1+y}Al{sub 1−y} alloys, i.e., 0.21–0.22 around 400–500 K for x = 0.05 and 500 K for x = 0.08.

  11. Interfacial exchange coupling in cubic Heusler Co2FeZ (Z = Al and Si)/tetragonal Mn3Ga bilayers

    NASA Astrophysics Data System (ADS)

    Ranjbar, R.; Suzuki, K.; Sugihara, A.; Ma, Q. L.; Zhang, X. M.; Miyazaki, T.; Ando, Y.; Mizukami, S.

    2015-05-01

    We have fabricated bilayer films of tetragonal Heusler-like D022 Mn3Ga and cubic Heusler Co2FeZ (Z = Si and Al) on (100) single-crystalline MgO substrates and investigated their structural and interfacial exchange coupling. The coupling in the Mn3Ga/Co2FeAl bilayer was either ferromagnetic or antiferromagnetic, depending on annealing temperature, whereas only antiferromagnetic exchange coupling was observed in the Mn3Ga/Co2FeSi bilayers. The effects of annealing on the structure and coupling strength in the bilayers are discussed.

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

    NASA Astrophysics Data System (ADS)

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

    2014-10-01

    Employing density functional theory combined with the non-equilibrium Green's function formalism, we systematically investigate the structural, magnetic and magnetoelectric properties of the Co2FeAl(CFA)/MgO interface, as well as the spin-dependent transport characteristics of the CFA/MgO/CFA perpendicular magnetic tunnel junctions (p-MTJs). We find that the structure of the CFA/MgO interface with the oxygen-top FeAl termination has high thermal stability, which is protected by the thermodynamic equilibrium limit. Furthermore, this structure is found to have perpendicular magnetocrystalline anisotropy (MCA). Giant electric-field-assisted modifications of this interfacial MCA through magnetoelectric coupling are demonstrated with an MCA coefficient of up to 10-7 erg V-1 cm. In addition, our non-collinear spin transport calculations of the CFA/MgO/CFA p-MTJ predict a good magnetoresistance performance of the device.

  13. Pressure effects on the superconductivity of the HfPd 2Al Heusler compound: Experimental and theoretical study

    NASA Astrophysics Data System (ADS)

    Wiendlocha, B.; Winiarski, M. J.; Muras, M.; Zvoriste-Walters, C.; Griveau, J.-C.; Heathman, S.; Gazda, M.; Klimczuk, T.

    2015-01-01

    Polycrystalline HfPd 2Al has been synthesized using the arc-melting method and studied under ambient-pressure conditions by x-ray diffraction from room temperature up to 450 °C. High-pressure x-ray diffraction up to 23 GPa was also performed using Diacell-type membrane diamond anvil cells. The estimated linear thermal expansion coefficient was found to be α =1.40 (3 ) ×10-5K-1 , and the bulk modulus derived from the fit to the third-order Birch-Murnaghan equation of state is B0=97 (2 ) GPa. Resistivity studies under applied pressure (p ≤7.49 GPa ) showed a linear decrease of superconducting critical temperature with increasing pressure and the slope d Tc/d p =-0.13 (1 ) K GPa-1 . The same behavior is observed for the electron-phonon coupling constant λep(p ) that changes from 0.67 to 0.6, estimated for p =0.05 and 7.49 GPa, respectively. First-principles electronic structure and phonon calculation results are presented and used to estimate the magnitude of electron-phonon interaction λep and its evolution with pressure. Theoretical results explain the experimentally observed decrease in Tc due to considerable lattice stiffening.

  14. Magnetic and superconducting phase diagram of the half-Heusler topological semimetal HoPdBi.

    PubMed

    Nikitin, A M; Pan, Y; Mao, X; Jehee, R; Araizi, G K; Huang, Y K; Paulsen, C; Wu, S C; Yan, B H; de Visser, A

    2015-07-15

    We report a study of the magnetic and electronic properties of the non-centrosymmetric half-Heusler antiferromagnet HoPdBi (TN = 2.0 K). Magnetotransport measurements show HoPdBi has a semimetallic behavior with a carrier concentration n = 3.7 × 10(18) cm(-3) extracted from the Shubnikov-de Haas effect. The magnetic phase diagram in the field-temperature plane has been determined by transport, magnetization, and thermal expansion measurements: magnetic order is suppressed at BM ~ 3.6 T for T --> 0. Superconductivity with Tc ~ 1.9 K is found in the antiferromagnetic phase. Ac-susceptibility measurements provide solid evidence for bulk superconductivity below Tc = 0.75 K with a screening signal close to a volume fraction of 100%. The upper critical field shows an unusual linear temperature variation with Bc2(T --> 0) = 1.1 T. We also report electronic structure calculations that classify HoPdBi as a new topological semimetal, with a non-trivial band inversion of 0.25 eV. PMID:26086396

  15. Effect of Ti Substitution on Thermoelectric Properties of W-Doped Heusler Fe2VAl Alloy

    NASA Astrophysics Data System (ADS)

    Mikami, M.; Ozaki, K.; Takazawa, H.; Yamamoto, A.; Terazawa, Y.; Takeuchi, T.

    2013-07-01

    Effects of element substitutions on thermoelectric properties of Heusler Fe2VAl alloys were evaluated. By W substitution at the V site, the thermal conductivity is reduced effectively because of the enhancement of phonon scattering resulting from the introduction of W atoms, which have much greater atomic mass and volume than the constituent elements of Fe2VAl alloy. W substitution is also effective to obtain a large negative Seebeck coefficient and high electrical conductivity through an electron injection effect. To change the conduction type from n-type to p-type, additional Ti substitution at the V site, which reduces the valence electron density, was examined. A positive Seebeck coefficient as high as that of conventional p-type Fe2VAl alloy was obtained using a sufficient amount of Ti substitution. Electrical resistivity was reduced by the hole doping effect of the Ti substitution while maintaining low thermal conductivity. Compared with the conventional solo-Ti-substituted p-type Fe2VAl alloy, the ZT value was improved, reaching 0.13 at 450 K.

  16. Half-metallicity in Heusler-type Fe2Cr1-x Co x Si alloys

    NASA Astrophysics Data System (ADS)

    Ramudu, M.; Inamdar, Swaleha; Arout Chelvane, J.; Manivel Raja, M.; Kamat, S. V.

    2016-02-01

    The effects of the substitution of Cr with Co on microstructure, phase composition, structure, magnetic, and electrical properties in \\text{F}{{\\text{e}}2}\\text{C}{{\\text{r}}1-x}\\text{C}{{\\text{o}}x}\\text{Si} (0  ⩽  x  ⩽  1) alloys was investigated to identify the compositions with the potential to exhibit half-metallicity. The microstructural and structural studies revealed that only \\text{F}{{\\text{e}}2}\\text{C}{{\\text{r}}1-x}\\text{C}{{\\text{o}}x}\\text{Si} alloys with x  ⩾  0.5 exhibited the desired single phase L21 full Heusler alloy structure. Both the saturation magnetization (M s) and Curie temperature (T C) were found to increase with the increase in Co concentration. The experimentally measured M s values are in good agreement with the Slater-Pauling rule. The electrical resistivity measurements in the temperature range 10-300 K gives indirect evidence of half-metallic behaviour in these alloys at low temperatures. The temperature range in which the half-metallic behaviour was observed also increased with an increase in Co concentration.

  17. Domain wall dynamics of periodic magnetic domain patterns in Co2MnGe-Heusler microstripes

    NASA Astrophysics Data System (ADS)

    Gross, K.; Westerholt, K.; Zabel, H.

    2016-03-01

    Highly symmetric periodic domain patterns were obtained in Co2MnGe-Heusler microstripes as a result of the competition between growth-induced in-plane magnetic anisotropy and shape anisotropy. Zero field magnetic configurations and magnetic field-induced domain wall (DW) motion were studied by magnetic force microscopy-image technique for two different cases: dominant uniaxial- and dominant cubic in-plane anisotropy. We implemented a magneto-optical Kerr effect susceptometer to investigate the DW dynamics of periodic domain structures by measuring the in-phase and out-of-phase components of the Kerr signal as a function of magnetic field frequency and amplitude. The DW dynamics for fields applied transversally to the long stripe axis was found to be dominated by viscous slide motion. We used the inherent symmetry/periodicity properties of the magnetic domain structure to fit the experimental results with a theoretical model allowing to extract the DW mobility for the case of transverse DWs (μ TDW = 1.1 m s-1 Oe-1) as well as for vortex-like DWs (μ VDW = 8.7 m s-1 Oe-1). Internal spin structure transformations may cause a reduction of DW mobility in TDWs as observed by OMMFF simulations.

  18. Room-temperature tetragonal non-collinear Heusler antiferromagnet Pt2MnGa.

    PubMed

    Singh, Sanjay; D'Souza, S W; Nayak, J; Suard, E; Chapon, L; Senyshyn, A; Petricek, V; Skourski, Y; Nicklas, M; Felser, C; Chadov, S

    2016-01-01

    Antiferromagnetic spintronics is a rapidly growing field, which actively introduces new principles of magnetic storage. Despite that, most applications have been suggested for collinear antiferromagnets. In this study, we consider an alternative mechanism based on long-range helical order, which allows for direct manipulation of the helicity vector. As the helicity of long-range homogeneous spirals is typically fixed by the Dzyaloshinskii-Moriya interactions, bi-stable spirals (left- and right-handed) are rare. Here, we report a non-collinear room-temperature antiferromagnet in the tetragonal Heusler group. Neutron diffraction reveals a long-period helix propagating along its tetragonal axis. Ab-initio analysis suggests its pure exchange origin and explains its helical character resulting from a large basal plane magnetocrystalline anisotropy. The actual energy barrier between the left- and right-handed spirals is relatively small and might be easily overcome by magnetic pulse, suggesting Pt2MnGa as a potential candidate for non-volatile magnetic memory.

  19. Electronic structure of Co-Ni-Ga Heusler alloys studied by resonant photoemission

    SciTech Connect

    Baral, Madhusmita Banik, Soma Ganguli, Tapas Chakrabarti, Aparna Deb, S. K.; Thamizhavel, A.; Wadikar, Avinash; Phase, D. M.

    2014-04-24

    The electronic structures of Co{sub 2.01}Ni{sub 1.05}Ga{sub 0.94} and Co{sub 1.76}Ni{sub 1.46}Ga{sub 0.78} Heusler alloys have been investigated by resonant photoemission spectroscopy across the 3p-3d transition of Co and Ni. For the Ni excess composition Co{sub 1.76}Ni{sub 1.46}Ga{sub 0.78}, the valence band peak shows a shift of 0.25 eV as compared to the near stoichiometric composition Co{sub 2.01}N1{sub 1.05}Ga{sub 0.94}. Also an enhancement is observed in the Ni related satellite features in the valence band for the Ni excess composition. Due to hybridization of Co and Ni 3d states in these systems, the Co and Ni 3p-3d resonance energies are found to be higher as compared to Co and Ni metals. Theoretical first principle calculation is performed to understand the features in the valence band and the shape of the resonance profile.

  20. Magnetic and superconducting phase diagram of the half-Heusler topological semimetal HoPdBi.

    PubMed

    Nikitin, A M; Pan, Y; Mao, X; Jehee, R; Araizi, G K; Huang, Y K; Paulsen, C; Wu, S C; Yan, B H; de Visser, A

    2015-07-15

    We report a study of the magnetic and electronic properties of the non-centrosymmetric half-Heusler antiferromagnet HoPdBi (TN = 2.0 K). Magnetotransport measurements show HoPdBi has a semimetallic behavior with a carrier concentration n = 3.7 × 10(18) cm(-3) extracted from the Shubnikov-de Haas effect. The magnetic phase diagram in the field-temperature plane has been determined by transport, magnetization, and thermal expansion measurements: magnetic order is suppressed at BM ~ 3.6 T for T --> 0. Superconductivity with Tc ~ 1.9 K is found in the antiferromagnetic phase. Ac-susceptibility measurements provide solid evidence for bulk superconductivity below Tc = 0.75 K with a screening signal close to a volume fraction of 100%. The upper critical field shows an unusual linear temperature variation with Bc2(T --> 0) = 1.1 T. We also report electronic structure calculations that classify HoPdBi as a new topological semimetal, with a non-trivial band inversion of 0.25 eV.

  1. A combinatorial study of inverse Heusler alloys by first-principles computational methods.

    PubMed

    Gillessen, Michael; Dronskowski, Richard

    2010-02-01

    In continuation of our recent combinatorial work on 810 X(2)YZ full Heusler alloys, a computational study of the same class of materials but with the inverse (XY)XZ crystal structure has been performed on the basis of first-principles (GGA) total-energy calculations using pseudopotentials and plane waves. The predicted enthalpies of formation evidence 27 phases to be thermochemically stable against the elements and the regular X(2)YZ type. A chemical-bonding study yields an inherent tendency for structural distortion in a majority of these alloys, and we predict the existence of the new tetragonal phase Fe(2)CuGa (P4(2)/ncm; a = 5.072 A, c = 7.634 A; c/a approximately 1.51) with a saturation moment of mu = 4.69 micro(B) per formula unit. Thirteen more likewise new, isotypical phases are predicted to show essentially the same behavior. Six phases turn out to be the most stable in the inverse tetragonal arrangement. The course of the magnetic properties as a function of the valence-electron concentration is analyzed using a Slater-Pauling approach.

  2. Influence of the transition width on the magnetocaloric effect across the magnetostructural transition of Heusler alloys.

    PubMed

    Cugini, F; Porcari, G; Fabbrici, S; Albertini, F; Solzi, M

    2016-08-13

    We report a complete structural and magneto-thermodynamic characterization of four samples of the Heusler alloy Ni-Co-Mn-Ga-In, characterized by similar compositions, critical temperatures and high inverse magnetocaloric effect across their metamagnetic transformation, but different transition widths. The object of this study is precisely the sharpness of the martensitic transformation, which plays a key role in the effective use of materials and which has its origin in both intrinsic and extrinsic effects. The influence of the transition width on the magnetocaloric properties has been evaluated by exploiting a phenomenological model of the transformation built through geometrical considerations on the entropy versus temperature curves. A clear result is that a large temperature span of the transformation is unfavourable to the magnetocaloric performance of a material, reducing both isothermal entropy change and adiabatic temperature change obtainable in a given magnetic field and increasing the value of the maximum field needed to fully induce the transformation. The model, which is based on standard magnetometric and conventional calorimetric measurements, turns out to be a convenient tool for the determination of the optimum values of transformation temperature span in a trade-off between sheer performance and amplitude of the operating range of a material.This article is part of the themed issue 'Taking the temperature of phase transitions in cool materials'. PMID:27402934

  3. Structural ordering tendencies in the new ferromagnetic Ni-Co-Fe-Ga-Zn Heusler alloys

    NASA Astrophysics Data System (ADS)

    Dannenberg, Antje; Siewert, Mario; Gruner, Markus E.; Wuttig, Manfred; Entel, Peter

    In search for new ferromagnetic shape memory alloys (FSMA) we have calculated structural energy differences, magnetic exchange interaction constants and mixing energies of quaternary (X1X2)YZ Heusler alloys with X1,X2,Y =Ni,Co,Fe and Z=Ga, Zn using density functional theory. The comparison of the energy profiles of (NiCo)FeZ, (FeNi)CoZ, and (FeCo)NiZ with Z=Ga and Zn as a function of the tetragonal distortion c / a reveals that the energetically preferred ordering type is (NiCo)FeGa and (NiCo)FeZn which shows that Fe prefers to occupy the same cubic sublattice as Ga or Zn what implies that Fe favors Co and Ni as nearest neighbors, respectively. The Curie temperatures of (NiCo)FeGa and (NiCo)FeZn are high of the order of 600 K. (NiCo)FeGa, which has the same valence electron concentration (e/a=7.5) as Ni2MnGa and also possesses a high martensitic transformation temperature (>500 K), is of interest for future magnetic shape memory devices.

  4. On the Challenges of Reducing Contact Resistances in Thermoelectric Generators Based on Half-Heusler Alloys

    NASA Astrophysics Data System (ADS)

    Ngan, Pham Hoang; Van Nong, Ngo; Hung, Le Thanh; Balke, Benjamin; Han, Li; Hedegaard, Ellen Marie Jensen; Linderoth, Søren; Pryds, Nini

    2016-01-01

    A method using fast hot pressing to join half-Heusler (HH) thermoelectric materials directly to an electrical current collector (Ag electrode) without using a third filler material is introduced. The compositions of the HH alloys used are Hf0.5Zr0.5CoSn0.2Sb0.8 and Ti0.6Hf0.4NiSn for p- and n-type, respectively. Using this method, the quality of the HH-electrode contacts is improved due to their low electrical contact resistance and less reaction-diffusion layer. The microstructure and chemical composition of the joints were examined using a scanning electron microscope equipped with energy-dispersive x-ray analysis. The electrical characteristics of the interfaces at the contacts were studied based on electrical contact resistance and Seebeck scanning microprobe measurements. In this paper, we show that joining the HH to a Ag electrode directly using fast hot pressing resulted in lower contact resistance and better performance compared with the method of using active brazing filler alloy.

  5. A combinatorial study of inverse Heusler alloys by first-principles computational methods.

    PubMed

    Gillessen, Michael; Dronskowski, Richard

    2010-02-01

    In continuation of our recent combinatorial work on 810 X(2)YZ full Heusler alloys, a computational study of the same class of materials but with the inverse (XY)XZ crystal structure has been performed on the basis of first-principles (GGA) total-energy calculations using pseudopotentials and plane waves. The predicted enthalpies of formation evidence 27 phases to be thermochemically stable against the elements and the regular X(2)YZ type. A chemical-bonding study yields an inherent tendency for structural distortion in a majority of these alloys, and we predict the existence of the new tetragonal phase Fe(2)CuGa (P4(2)/ncm; a = 5.072 A, c = 7.634 A; c/a approximately 1.51) with a saturation moment of mu = 4.69 micro(B) per formula unit. Thirteen more likewise new, isotypical phases are predicted to show essentially the same behavior. Six phases turn out to be the most stable in the inverse tetragonal arrangement. The course of the magnetic properties as a function of the valence-electron concentration is analyzed using a Slater-Pauling approach. PMID:19554554

  6. High tunneling magnetoresistance ratio in perpendicular magnetic tunnel junctions using Fe-based Heusler alloys

    SciTech Connect

    Wang, Yu-Pu; Lim, Sze-Ter; Han, Gu-Chang; Teo, Kie-Leong

    2015-12-21

    Heulser alloys Fe{sub 2}Cr{sub 1−x}Co{sub x}Si (FCCS) with different Co compositions x have been predicted to have high spin polarization. High perpendicular magnetic anisotropy (PMA) has been observed in ultra-thin FCCS films with magnetic anisotropy energy density up to 2.3 × 10{sup 6 }erg/cm{sup 3}. The perpendicular magnetic tunnel junctions (p-MTJs) using FCCS films with different Co compositions x as the bottom electrode have been fabricated and the post-annealing effects have been investigated in details. An attractive tunneling magnetoresistance ratio as high as 51.3% is achieved for p-MTJs using Fe{sub 2}CrSi (FCS) as the bottom electrode. The thermal stability Δ can be as high as 70 for 40 nm dimension devices using FCS, which is high enough to endure a retention time of over 10 years. Therefore, Heusler alloy FCS is a promising PMA candidate for p-MTJ application.

  7. Magnetism and magnetocaloric effects in Ni50Mn35-xCoxIn15 Heusler alloys

    NASA Astrophysics Data System (ADS)

    Pathak, Arjun K.; Dubenko, Igor; Pueblo, Christopher; Stadler, Shane; Ali, Naushad

    2010-05-01

    The effects of the partial substitution of Mn by Co on the magnetic, magnetoelastic, and magnetocaloric properties of Ni50Mn35In15 Heusler alloys were studied using x-ray diffraction, temperature and field dependences of the magnetization [M(T,H)], and strain gauge techniques. It was observed that the presence of ≈3% Co atoms in Mn sites strongly affected the magnetic and magnetoelastic behaviors of Ni50Mn35In15. At H=5 T, a maximum magnetoelastic strain of ≈0.6% was observed for Ni50Mn35In15. It was found that Co substituted into the Mn position does not affect the ΔSM in the vicinity of the second order transitions (SOTs), however ΔSM near the first order transitions (FOTs) it slightly decreases. The net refrigeration capacities in the vicinity of both the FOT and SOT were found to significantly increase by introducing Co into Mn sites. The net refrigeration capacity in the vicinity of the FOT and SOT was found to be 167 J/kg (T=277-293 K) and 229 J/kg (T=305-354 K), respectively, at a magnetizing field of 5 T. These values of the magnetocaloric parameters are comparable to that of the largest values reported for metallic magnets near room temperature.

  8. Electronic structures and the spin polarization of Heusler alloy Co2FeAl surface

    NASA Astrophysics Data System (ADS)

    Xu, Xiaoguang; Wang, Yankai; Zhang, Delin; Jiang, Yong

    2011-01-01

    The electronic structures of the Heusler alloy Co2FeAl surface are studied theoretically via first-principles calculations. The space localization of the surface states is the key effect on the electronic structures of the Co2FeAl surface. At the surface, the lattice parameter shrinks to minimize the total energy, and the minority spin gap disappears and shows a metallic band gap character. However, with the depth increasing, the lattice parameter equals to that of bulk phase, and there shows an energy gap opening at the Fermi level in the minority spin states. As a result, the spin polarization at the surface is lower than that of the bulk Co2FeAl, while it is close to that of bulk phase beneath the surface. According to the calculations, it is clear that the half-metallic property fading of the Co2FeAl films is caused by the surface states. Therefore, it is important to minimize the lattice mismatch at the interface of Co2FeAl in order to obtain a high tunneling magnetoresistance.

  9. Synthesis and characterization of Co2FeAl Heusler alloy nanoparticles

    NASA Astrophysics Data System (ADS)

    Kumar, Arvind; Srivastava, P. C.

    2013-10-01

    Heusler alloy Co2FeAl (CFA) nanoparticles have been synthesized by reducing a mixture of the precursors: CoCl2·6H2O, Fe(NO3)3·9H2O and AlCl3·6H2O under H2 atmosphere. XRD, SEM and TEM techniques have been used for the characterization of the prepared material. XRD and SAED data from TEM show the formation of mixed phases of L21, B2 and A2 type crystal structure of the alloy. The estimated particle size from XRD data and TEM micrograph has been found in the range of 10 nm to 50 nm. The saturation magnetization has been found of 115 emu/g from M-H characteristics which is close to its bulk value of saturation magnetization. Chemical composition of the elements has also been estimated from EDAX, which shows a ratio of Co:Fe:Al as 2.12:1.06:0.81.

  10. Room-temperature tetragonal non-collinear Heusler antiferromagnet Pt2MnGa

    PubMed Central

    Singh, Sanjay; D'Souza, S. W.; Nayak, J.; Suard, E.; Chapon, L.; Senyshyn, A.; Petricek, V.; Skourski, Y.; Nicklas, M.; Felser, C.; Chadov, S.

    2016-01-01

    Antiferromagnetic spintronics is a rapidly growing field, which actively introduces new principles of magnetic storage. Despite that, most applications have been suggested for collinear antiferromagnets. In this study, we consider an alternative mechanism based on long-range helical order, which allows for direct manipulation of the helicity vector. As the helicity of long-range homogeneous spirals is typically fixed by the Dzyaloshinskii–Moriya interactions, bi-stable spirals (left- and right-handed) are rare. Here, we report a non-collinear room-temperature antiferromagnet in the tetragonal Heusler group. Neutron diffraction reveals a long-period helix propagating along its tetragonal axis. Ab-initio analysis suggests its pure exchange origin and explains its helical character resulting from a large basal plane magnetocrystalline anisotropy. The actual energy barrier between the left- and right-handed spirals is relatively small and might be easily overcome by magnetic pulse, suggesting Pt2MnGa as a potential candidate for non-volatile magnetic memory. PMID:27561795

  11. Influence of the transition width on the magnetocaloric effect across the magnetostructural transition of Heusler alloys.

    PubMed

    Cugini, F; Porcari, G; Fabbrici, S; Albertini, F; Solzi, M

    2016-08-13

    We report a complete structural and magneto-thermodynamic characterization of four samples of the Heusler alloy Ni-Co-Mn-Ga-In, characterized by similar compositions, critical temperatures and high inverse magnetocaloric effect across their metamagnetic transformation, but different transition widths. The object of this study is precisely the sharpness of the martensitic transformation, which plays a key role in the effective use of materials and which has its origin in both intrinsic and extrinsic effects. The influence of the transition width on the magnetocaloric properties has been evaluated by exploiting a phenomenological model of the transformation built through geometrical considerations on the entropy versus temperature curves. A clear result is that a large temperature span of the transformation is unfavourable to the magnetocaloric performance of a material, reducing both isothermal entropy change and adiabatic temperature change obtainable in a given magnetic field and increasing the value of the maximum field needed to fully induce the transformation. The model, which is based on standard magnetometric and conventional calorimetric measurements, turns out to be a convenient tool for the determination of the optimum values of transformation temperature span in a trade-off between sheer performance and amplitude of the operating range of a material.This article is part of the themed issue 'Taking the temperature of phase transitions in cool materials'.

  12. Room-temperature tetragonal non-collinear Heusler antiferromagnet Pt2MnGa

    NASA Astrophysics Data System (ADS)

    Singh, Sanjay; D'Souza, S. W.; Nayak, J.; Suard, E.; Chapon, L.; Senyshyn, A.; Petricek, V.; Skourski, Y.; Nicklas, M.; Felser, C.; Chadov, S.

    2016-08-01

    Antiferromagnetic spintronics is a rapidly growing field, which actively introduces new principles of magnetic storage. Despite that, most applications have been suggested for collinear antiferromagnets. In this study, we consider an alternative mechanism based on long-range helical order, which allows for direct manipulation of the helicity vector. As the helicity of long-range homogeneous spirals is typically fixed by the Dzyaloshinskii-Moriya interactions, bi-stable spirals (left- and right-handed) are rare. Here, we report a non-collinear room-temperature antiferromagnet in the tetragonal Heusler group. Neutron diffraction reveals a long-period helix propagating along its tetragonal axis. Ab-initio analysis suggests its pure exchange origin and explains its helical character resulting from a large basal plane magnetocrystalline anisotropy. The actual energy barrier between the left- and right-handed spirals is relatively small and might be easily overcome by magnetic pulse, suggesting Pt2MnGa as a potential candidate for non-volatile magnetic memory.

  13. Resonant impurity states in chemically disordered half-Heusler Dirac semimetals

    NASA Astrophysics Data System (ADS)

    Chadova, K.; Ködderitzsch, D.; Minár, J.; Ebert, H.; Kiss, J.; D'Souza, S. W.; Wollmann, L.; Felser, C.; Chadov, S.

    2016-05-01

    We address the electron transport characteristics in bulk half-Heusler alloys with their compositions tuned to the borderline between topologically nontrivial semimetallic and trivial semiconducting phases. Accurate first-principles calculations based on the coherent potential approximation (CPA) reveal that all the studied systems exhibit sets of dispersionless impurity-like resonant levels, with one of them being located at the Dirac point. By means of the Kubo-Bastin formalism we reveal that the residual conductivity of these alloys is strongly suppressed by impurity scattering, whereas the spin Hall conductivity exhibits a rather complex behavior induced by the resonant states. In particular for LaPt0.5Pd0.5Bi we find that the total spin Hall conductivity is strongly suppressed by two large and opposite contributions: the negative Fermi-surface contribution produced by the resonant impurity and the positive Fermi-sea term stemming from the occupied states. At the same time, we identify no conductivity contributions from the conical states.

  14. First principles investigation of magnetocrystalline anisotropy at Full Heusler / MgO interfaces

    NASA Astrophysics Data System (ADS)

    Vadapoo, Rajasekarakumar; Hallal, Ali; Chshiev, Mairbek

    2014-03-01

    Magnetic tunnel junctions with perpendicular magnetic anisotropy (PMA) have the potential for realizing next generation high density nonvolatile memories and logic devices. The origin of high PMA in these interfaces has been explained by orbital hybridizations at interface along with spin-orbit interactions. Here we present a systematic study of PMA in Heusler alloy [X2YZ]/ MgO interfaces using first principle methods with X =Co, YZ =FeAl, MnGe and MnSi. Among the interfaces studied, we found that Co terminated interface of Co2FeAl/MgO gives rise to PMA value of 1.2erg/cm2 in agreement with recent experimental observations. On the contrary, FeAl terminated interfaces of the same structure shows in-plane magnetic anisotropy (IMA). We also found that the most of PMA contribution originates from dyz and dz2 orbitals of Co atoms at the interface. Finally, Co2MnGe and Co2MnSi structures tend to favor IMA for any termination.

  15. Perpendicular magnetic anisotropy in Fe2Cr1 - xCoxSi Heusler alloy

    NASA Astrophysics Data System (ADS)

    Wang, Yu-Pu; Qiu, Jin-Jun; Lu, Hui; Ji, Rong; Han, Gu-Chang; Teo, Kie-Leong

    2014-12-01

    Perpendicular magnetic anisotropy (PMA) was achieved in annealed Fe2Cr1 - xCoxSi (FCCS) Heusler alloys with different Co compositions x. The Co composition is varied to tune the Fermi level in order to achieve both higher spin polarization and better thermal stability. The PMA is thermally stable up to 400 oC for FCCS with x = 0, 0.3, 0.5 and 350 oC for FCCS with x = 0.7, 0.9, 1. The thickness of FCCS films with PMA ranges from 0.6 to 1.2 nm. The annealing temperature and FCCS thickness are found to greatly affect the PMA. The magnetic anisotropy energy density KU is 2.8  ×  106 erg cm-3 for 0.8 nm Fe2CrSi, and decreases as the Co composition x increases, suggesting that the PMA induced at the FCCS/MgO interface is dominated by the contribution of Fe atoms. There is a trade-off between high spin polarization and strong PMA by adjusting the Co composition.

  16. Magnetic domain patterns in Co2MnGe Heusler nanostripes

    NASA Astrophysics Data System (ADS)

    Gross, K.; Szary, P.; Petracic, O.; Brüssing, F.; Westerholt, K.; Zabel, H.

    2011-08-01

    We have prepared thin films of the ferromagnetic Heusler alloy Co2MnGe on A-plane Al2O3 substrates exhibiting growth-induced, superimposed fourfold and uniaxial magnetic anisotropies, the symmetry being determined by the single-crystalline Al2O3 substrate. The magnitude of the uniaxial anisotropy compared to the cubic anisotropy can be tuned over a wide range by the film thickness and the growth conditions. On submicrometer-wide stripes of Co2MnGe prepared by electron beam lithography we studied magnetic domain patterns by magnetic force microscopy. For stripes with a sufficiently large uniaxial anisotropy and with the easy axis oriented perpendicular to the stripe axis, we find perfectly regular domain patterns with the magnetization direction perpendicular to the stripe axis and alternating from domain to domain. The highly regular and controllable domain patterns in Co2MnGe nanostripes could be useful for magnetic storage devices and applications related to spin transfer torque.

  17. Room-temperature tetragonal non-collinear Heusler antiferromagnet Pt2MnGa.

    PubMed

    Singh, Sanjay; D'Souza, S W; Nayak, J; Suard, E; Chapon, L; Senyshyn, A; Petricek, V; Skourski, Y; Nicklas, M; Felser, C; Chadov, S

    2016-01-01

    Antiferromagnetic spintronics is a rapidly growing field, which actively introduces new principles of magnetic storage. Despite that, most applications have been suggested for collinear antiferromagnets. In this study, we consider an alternative mechanism based on long-range helical order, which allows for direct manipulation of the helicity vector. As the helicity of long-range homogeneous spirals is typically fixed by the Dzyaloshinskii-Moriya interactions, bi-stable spirals (left- and right-handed) are rare. Here, we report a non-collinear room-temperature antiferromagnet in the tetragonal Heusler group. Neutron diffraction reveals a long-period helix propagating along its tetragonal axis. Ab-initio analysis suggests its pure exchange origin and explains its helical character resulting from a large basal plane magnetocrystalline anisotropy. The actual energy barrier between the left- and right-handed spirals is relatively small and might be easily overcome by magnetic pulse, suggesting Pt2MnGa as a potential candidate for non-volatile magnetic memory. PMID:27561795

  18. Magnetostructural transition behavior in Fe-doped Heusler Mn-Ni-In ribbon materials

    NASA Astrophysics Data System (ADS)

    Li, Hongwei; Fang, Yue; Feng, Shutong; Zhai, Qijie; Luo, Zhiping; Zheng, Hongxing

    2016-11-01

    In the present work, we investigated magnetostructural transition behavior in Mn-rich Heusler Mn50-xFexNi41In9 (x=0, 1, 2, 3 at%) ribbon materials. Microstructural observations showed that substituting Mn with Fe in Mn50Ni41In9 led to striking grain refinement from ∼50 μm to 5-10 μm, and formation of a secondary phase when Fe content was increased up to 2 at%. Differential scanning calorimetric and thermomagnetic measurements indicated that a paramagnetic→ferromagnetic transition in austenite occurred first, followed with a weak-magnetic martensitic transition upon cooling for the Mn50-xFexNi41In9 (x=0, 1, 2). In case of Mn47Fe3Ni41In9, the martensitic transformation happened between paramagnetic austenite and weak-magnetic martensite, without the presence of the magnetic transition in austenite. The effective refrigeration capacity of Mn49Fe1Ni41In9 reached 137.1 J kg-1 under a magnetic field change of 30 kOe.

  19. Molecular beam epitaxy growth and magnetic properties of Cr-Co-Ga Heusler alloy films

    SciTech Connect

    Feng, Wuwei Wang, Weihua; Zhao, Chenglong; Van Quang, Nguyen; Cho, Sunglae; Dung, Dang Duc

    2015-11-15

    We have re-investigated growth and magnetic properties of Cr{sub 2}CoGa films using molecular beam epitaxy technique. Phase separation and precipitate formation were observed experimentally again in agreement with observation of multiple phases separation in sputtered Cr{sub 2}CoGa films by M. Meinert et al. However, significant phase separation could be suppressed by proper control of growth conditions. We showed that Cr{sub 2}CoGa Heusler phase, rather than Co{sub 2}CrGa phase, constitutes the majority of the sample grown on GaAs(001) at 450 {sup o}C. The measured small spin moment of Cr{sub 2}CoGa is in agreement with predicted HM-FCF nature; however, its Curie temperature is not as high as expected from the theoretical prediction probably due to the off-stoichiometry of Cr{sub 2}CoGa and the existence of the disorders and phase separation.

  20. Half-metallicity and tetragonal distortion in semi-Heusler alloy FeCrSe

    SciTech Connect

    Huang, H. M. Luo, S. J.; Yao, K. L.

    2014-01-28

    Full-potential linearized augmented plane wave methods are carried out to investigate the electronic structures and magnetic properties in semi-Heusler alloy FeCrSe. Results show that FeCrSe is half-metallic ferromagnet with the half-metallic gap 0.31 eV at equilibrium lattice constant. Calculated total magnetic moment of 2.00μ{sub B} per formula unit follows the Slater-Pauling rule quite well. Two kinds of structural changes are used to investigate the sensitivity of half-metallicity. It is found that the half-metallicity can be retained when lattice constant is changed by −4.56% to 3.52%, and the results of tetragonal distortion indicate the half-metallicity can be kept at the range of c/a ratio from 0.85 to 1.20. The Curie temperature, cohesive energy, and heat of formations of FeCrSe are also discussed.

  1. CO2-based mixtures as working fluids for geothermal turbines.

    SciTech Connect

    Wright, Steven Alan; Conboy, Thomas M.; Ames, David E.

    2012-01-01

    Sandia National Laboratories is investigating advanced Brayton cycles using supercritical working fluids for application to a variety of heat sources, including geothermal, solar, fossil, and nuclear power. This work is centered on the supercritical CO{sub 2} (S-CO{sub 2}) power conversion cycle, which has the potential for high efficiency in the temperature range of interest for these heat sources and is very compact-a feature likely to reduce capital costs. One promising approach is the use of CO{sub 2}-based supercritical fluid mixtures. The introduction of additives to CO{sub 2} alters the equation of state and the critical point of the resultant mixture. A series of tests was carried out using Sandia's supercritical fluid compression loop that confirmed the ability of different additives to increase or lower the critical point of CO{sub 2}. Testing also demonstrated that, above the modified critical point, these mixtures can be compressed in a turbocompressor as a single-phase homogenous mixture. Comparisons of experimental data to the National Institute of Standards and Technology (NIST) Reference Fluid Thermodynamic and Transport Properties (REFPROP) Standard Reference Database predictions varied depending on the fluid. Although the pressure, density, and temperature (p, {rho}, T) data for all tested fluids matched fairly well to REFPROP in most regions, the critical temperature was often inaccurate. In these cases, outside literature was found to provide further insight and to qualitatively confirm the validity of experimental findings for the present investigation.

  2. Electronic and magnetic properties of a full-Heusler alloy Co2CrGe: a first-principles study

    NASA Astrophysics Data System (ADS)

    Rai, D. P.; Shankar, A.; Sandeep; Ghimire, M. P.; Thapa, R. K.

    2013-01-01

    The structural, electronic, and magnetic properties of Co2CrGe, a Heusler alloy, have been evaluated by first-principles density functional theory and compared with the known experimental and theoretical results. Generalized gradient approximation is used for structural study, whereas local spin density approximation is used for electronic calculation. First-principles structure optimizations were done through total energy calculations at 0 K using the full-potential linearized augmented plane wave method as implemented in the WIEN2K code.

  3. Growth temperature dependent structural and magnetic properties of epitaxial Co2FeAl Heusler alloy films

    NASA Astrophysics Data System (ADS)

    Qiao, Shuang; Nie, Shuaihua; Zhao, Jianhua; Zhang, Xinhui

    2013-06-01

    The structural and magnetic properties of a series of Co2FeAl Heusler alloy films grown on GaAs(001) substrate by molecular beam epitaxy have been studied. The epitaxial Co2FeAl films with an ordered L21 structure have been successfully obtained at growth temperature of 433 K, with an in-plane cubic magnetic anisotropy superimposed with an unusual uniaxial magnetic anisotropy. With increasing growth temperature, the ordered L21 structure degrades. Meanwhile, the uniaxial anisotropy decreases and eventually disappears above 673 K. The interfacial bonding between As and Co or Fe atom is suggested to be responsible for the additional uniaxial anisotropy.

  4. Modelling current-induced magnetization switching in Heusler alloy Co2FeAl-based spin-valve nanopillar

    NASA Astrophysics Data System (ADS)

    Huang, H. B.; Ma, X. Q.; Liu, Z. H.; Zhao, C. P.; Chen, L. Q.

    2014-04-01

    We investigated the current-induced magnetization switching in a Heusler alloy Co2FeAl-based spin-valve nanopillar by using micromagnetic simulations. We demonstrated that the elimination of the intermediate state is originally resulted from the decease of effective magnetic anisotropy constant. The magnetization switching can be achieved at a small current density of 1.0 × 104 A/cm2 by increasing the demagnetization factors of x and y axes. Based on our simulation, we found magnetic anisotropy and demagnetization energies have different contributions to the magnetization switching.

  5. Suppression of the ferromagnetic order in the Heusler alloy Ni50Mn35In15 by hydrostatic pressure

    NASA Astrophysics Data System (ADS)

    Salazar Mejía, C.; Mydeen, K.; Naumov, P.; Medvedev, S. A.; Wang, C.; Hanfland, M.; Nayak, A. K.; Schwarz, U.; Felser, C.; Nicklas, M.

    2016-06-01

    We report on the effect of hydrostatic pressure on the magnetic and structural properties of the shape-memory Heusler alloy Ni50Mn35In15. Magnetization and x-ray diffraction experiments were performed at hydrostatic pressures up to 5 GPa using diamond anvil cells. Pressure stabilizes the martensitic phase, shifting the martensitic transition to higher temperatures, and suppresses the ferromagnetic austenitic phase. Above 3 GPa, where the martensitic-transition temperature approaches the Curie temperature in the austenite, the magnetization shows no longer indications of ferromagnetic ordering. We further find an extended temperature region with a mixture of martensite and austenite phases, which directly relates to the magnetic properties.

  6. Perpendicular Magnetic Anisotropy of Full-Heusler Films in Pt/Co2FeAl/MgO Trilayers

    NASA Astrophysics Data System (ADS)

    Li, Xiaoqi; Yin, Shaoqian; Liu, Yupeng; Zhang, Delin; Xu, Xiaoguang; Miao, Jun; Jiang, Yong

    2011-04-01

    We report on perpendicular magnetic anisotropy (PMA) in a Pt/Co2FeAl/MgO sandwiched structure with a thick Co2FeAl layer of 2-2.5 nm. The PMA is thermally stable and the anisotropy energy density Ku is 1.3×106 erg/cm3 for the structure with 2 nm Co2FeAl after annealing at 350 °C. The annealing temperature and Co2FeAl thickness greatly affect the PMA. Our results provide an effective way to realize relatively thick perpendicularly magnetized Heusler alloy films.

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

    NASA Astrophysics Data System (ADS)

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

    2016-03-01

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

  8. Electrical properties of ferromagnetic Ni{sub 2}MnGa and Co{sub 2}CrGa Heusler alloys

    SciTech Connect

    Kourov, N. I. Marchenkov, V. V.; Pushin, V. G.; Belozerova, K. A.

    2013-07-15

    The electrical properties of ferromagnetic Ni{sub 2}MnGa and Co{sub 2}CrGa Heusler alloys are measured in the temperature range 4-900 K. The effect of the energy gap near the Fermi level in the electronic spectrum on the behavior of electrical resistivity and absolute differential thermopower is discussed.

  9. Realizing high figure of merit in heavy-band p-type half-Heusler thermoelectric materials.

    PubMed

    Fu, Chenguang; Bai, Shengqiang; Liu, Yintu; Tang, Yunshan; Chen, Lidong; Zhao, Xinbing; Zhu, Tiejun

    2015-01-01

    Solid-state thermoelectric technology offers a promising solution for converting waste heat to useful electrical power. Both high operating temperature and high figure of merit zT are desirable for high-efficiency thermoelectric power generation. Here we report a high zT of ∼1.5 at 1,200 K for the p-type FeNbSb heavy-band half-Heusler alloys. High content of heavier Hf dopant simultaneously optimizes the electrical power factor and suppresses thermal conductivity. Both the enhanced point-defect and electron-phonon scatterings contribute to a significant reduction in the lattice thermal conductivity. An eight couple prototype thermoelectric module exhibits a high conversion efficiency of 6.2% and a high power density of 2.2 W cm(-2) at a temperature difference of 655 K. These findings highlight the optimization strategy for heavy-band thermoelectric materials and demonstrate a realistic prospect of high-temperature thermoelectric modules based on half-Heusler alloys with low cost, excellent mechanical robustness and stability.

  10. Rotatable magnetic anisotropy in Si/SiO2/(Co2Fe)(x)Ge(1-x) Heusler alloy films.

    PubMed

    Ryabchenko, S M; Kalita, V M; Kulik, M M; Lozenko, A F; Nevdacha, V V; Pogorily, A N; Kravets, A F; Podyalovskiy, D Y; Vovk, A Ya; Borges, R P; Godinho, M; Korenivski, V

    2013-10-16

    Polycrystalline (Co2Fe)(x)Ge(1-x) Heusler alloy films are fabricated by sputtering on amorphous substrates and shown to possess three types of magnetic anisotropy. The nearly stoichiometric composition of x = 50 m.f.% shows a rectangular hysteresis loop and isotropic coercive and ferromagnetic resonance fields when the film is field-magnetized along any in-plane direction, thus predominantly possessing rotatable in-plane magnetic anisotropy. Higher-x compositions show evidence of two- and fourfold in-plane anisotropy superposed on the rotatable one. A qualitative model of the observed anisotropic magnetic properties is proposed. The model explains the rotatable anisotropy by taking into account dry friction for the in-plane rotation of the magnetization direction in a fine-grained polycrystalline film with the magnetic grain size smaller than the correlation length of the inter-grain exchange interaction. The observed two- and fourfold magnetic anisotropy contributions are attributed to partial texturing of the fine-grained films, even though the films are grown on amorphous SiO2 substrates. These results should be valuable for understanding and controlling the magnetic behaviour of highly spin-polarized Heusler alloy films used in various magnetic nanodevices.

  11. Design of Heusler Precipitation Strengthened NiTi- and PdTi-Base SMAs for Cyclic Performance

    NASA Astrophysics Data System (ADS)

    Frankel, Dana J.; Olson, Gregory B.

    2015-06-01

    For a wide range of actuation applications, the performance of NiTi-based shape memory alloys is limited by cyclic instability associated with accommodation slip. For medical applications, low-Ni compositions are also desirable. Increasing yield strength via precipitation of a coherent nanoscale Ni2TiAl-type Heusler phase from a supersaturated B2 matrix is an effective approach for eliminating slip in order to improve the stability of the functional response and increase the structural fatigue life. Quaternary additions that partition into the L21 Heusler phase, such as Zr or Pd, are favorable for reducing interphase misfit and maintaining coherency during aging. Phase relations and precipitation kinetics in quaternary Ni(TiZrAl), low-Ni (PdNi)(TiAl), and Ni-free (PdFe)(TiAl) systems are summarized from TEM and atom probe tomography data in the literature. Strengthening behavior during isothermal aging is compared in the NiTiZrAl and PdNiTiAl systems, and recent work characterizing a high-strength, low-Ni "Hybrid" (PdNi)(TiZrAl) alloy is presented. A systems design approach is taken in which an optimal microstructure for peak strengthening is identified while other property objectives such as transformation temperature, misfit, radiopacity, and biocompatibility are satisfied.

  12. Realizing high figure of merit in heavy-band p-type half-Heusler thermoelectric materials

    PubMed Central

    Fu, Chenguang; Bai, Shengqiang; Liu, Yintu; Tang, Yunshan; Chen, Lidong; Zhao, Xinbing; Zhu, Tiejun

    2015-01-01

    Solid-state thermoelectric technology offers a promising solution for converting waste heat to useful electrical power. Both high operating temperature and high figure of merit zT are desirable for high-efficiency thermoelectric power generation. Here we report a high zT of ∼1.5 at 1,200 K for the p-type FeNbSb heavy-band half-Heusler alloys. High content of heavier Hf dopant simultaneously optimizes the electrical power factor and suppresses thermal conductivity. Both the enhanced point-defect and electron–phonon scatterings contribute to a significant reduction in the lattice thermal conductivity. An eight couple prototype thermoelectric module exhibits a high conversion efficiency of 6.2% and a high power density of 2.2 W cm−2 at a temperature difference of 655 K. These findings highlight the optimization strategy for heavy-band thermoelectric materials and demonstrate a realistic prospect of high-temperature thermoelectric modules based on half-Heusler alloys with low cost, excellent mechanical robustness and stability. PMID:26330371

  13. Realizing high figure of merit in heavy-band p-type half-Heusler thermoelectric materials

    NASA Astrophysics Data System (ADS)

    Fu, Chenguang; Bai, Shengqiang; Liu, Yintu; Tang, Yunshan; Chen, Lidong; Zhao, Xinbing; Zhu, Tiejun

    2015-09-01

    Solid-state thermoelectric technology offers a promising solution for converting waste heat to useful electrical power. Both high operating temperature and high figure of merit zT are desirable for high-efficiency thermoelectric power generation. Here we report a high zT of ~1.5 at 1,200 K for the p-type FeNbSb heavy-band half-Heusler alloys. High content of heavier Hf dopant simultaneously optimizes the electrical power factor and suppresses thermal conductivity. Both the enhanced point-defect and electron-phonon scatterings contribute to a significant reduction in the lattice thermal conductivity. An eight couple prototype thermoelectric module exhibits a high conversion efficiency of 6.2% and a high power density of 2.2 W cm-2 at a temperature difference of 655 K. These findings highlight the optimization strategy for heavy-band thermoelectric materials and demonstrate a realistic prospect of high-temperature thermoelectric modules based on half-Heusler alloys with low cost, excellent mechanical robustness and stability.

  14. High-efficiency energy harvesting using TAGS-85/half-Heusler thermoelectric devices

    NASA Astrophysics Data System (ADS)

    Bulman, Gary; Cook, Bruce

    2014-06-01

    To improve the thermal-to-electrical conversion efficiency of waste exhaust heat at temperatures in the vicinity of 750°C, RTI has combined two different high-performance materials to form a high ZT, hybrid thermoelectric (TE) device. Recently-developed enhanced "TAGS-85", or e-TAGS, was employed as the p-leg, while the n leg was comprised of improved half-Heusler (HH) material. This hybrid material pair provides a high ZT, lead-free TE material solution for exhaust gas heat recovery for use in vehicle or industrial platforms. The improved HH material employs two novel techniques to reduce thermal conductivity: (1) high-energy milling, and (2) addition of coherent inclusions. Single n-/pcouples were produced that achieved a 9.2% efficiency with a power output of 205mW for Thot = 559°C and ΔT = 523K. This is a significant efficiency improvement at a lower hot side temperature with the hybrid e-TAGS/HH single couple over the performance of a conventional, all HH couple. By optimizing the cross sectional areas of the pellets for equal heat flow, the resulting asymmetric couple achieved 10.5% efficiency with a maximum power output of 317 mW at Thot = 537°C and ΔT = 497°C. A 49-couple hybrid module using other advanced HH materials paired with e-TAGS and operated with Thot up to 600°C reached a maximum efficiency of 10%. The improved module efficiency is believed to be due to both improved materials and optimized cross-sectional area ratios between the n- and p- elements.

  15. Consecutive magnetic and magnetocaloric transitions in herringbone nanostructured Heusler Mn50Ni41Sn9 alloy.

    PubMed

    Prasanna, A A; Ram, S; Fecht, H J

    2013-08-01

    A herringbone nanostructured Mn-rich Heusler Mn50Ni50-Sndelta (8 - 9) alloy exhibits tailored magnetocaloric properties in the martensite and ferro <-> paramagnetic transitions concur in a narrow temperature window. In a Sn --> Ni substitution 8 - 9, the martensite (M) <-- austenite (A) transition up-lifts adequately well above the room temperature - 310.5 K in the DSC thermogram and magnetization scanned with temperature. A noninterrupted heating following a cooling in DSC at a given rate gives a smaller enthalpy change deltaH(M <-- A) - deltaH(M --> A approximately equal to 282 mJ/g (deltaC(P)(M <-- A) - deltaC(P)(M --> A) approximately equal to 0.025 mJ/g-K in the heat capacity), i.e., the M <-> A transition process lacks a complete reversibility. Warming a zero-field cooled sample retains lower magnetization (sigma) at low fields B, e.g., by 58% over the field cooled value at 5 mT, wherein merely low field magnetic susceptibility imparts the magnetization process. A reversible thermal hysteresis thus the transition traces in cooling and heating. The field diminishes difference in two sigma-values progressively, e.g., only - 12% lasts at 5 T. The two curves bifurcate below 160 K (B-5 mT) and the gap grows exponentially over lower temperatures before sigma(M <-- A) gets steady near 60 K in a superparamagnetic (SPM) behavior. The SPM feature (follows the Langevin model) below a paramagnetic regime begins (> or = 250 K) before a ferromagnetic A-state lines-up the successive transitions. Temperature and frequency dependence ac and dc susceptibilities describe the surface spins dynamics.

  16. Consecutive magnetic and magnetocaloric transitions in herringbone nanostructured Heusler Mn50Ni41Sn9 alloy.

    PubMed

    Prasanna, A A; Ram, S; Fecht, H J

    2013-08-01

    A herringbone nanostructured Mn-rich Heusler Mn50Ni50-Sndelta (8 - 9) alloy exhibits tailored magnetocaloric properties in the martensite and ferro <-> paramagnetic transitions concur in a narrow temperature window. In a Sn --> Ni substitution 8 - 9, the martensite (M) <-- austenite (A) transition up-lifts adequately well above the room temperature - 310.5 K in the DSC thermogram and magnetization scanned with temperature. A noninterrupted heating following a cooling in DSC at a given rate gives a smaller enthalpy change deltaH(M <-- A) - deltaH(M --> A approximately equal to 282 mJ/g (deltaC(P)(M <-- A) - deltaC(P)(M --> A) approximately equal to 0.025 mJ/g-K in the heat capacity), i.e., the M <-> A transition process lacks a complete reversibility. Warming a zero-field cooled sample retains lower magnetization (sigma) at low fields B, e.g., by 58% over the field cooled value at 5 mT, wherein merely low field magnetic susceptibility imparts the magnetization process. A reversible thermal hysteresis thus the transition traces in cooling and heating. The field diminishes difference in two sigma-values progressively, e.g., only - 12% lasts at 5 T. The two curves bifurcate below 160 K (B-5 mT) and the gap grows exponentially over lower temperatures before sigma(M <-- A) gets steady near 60 K in a superparamagnetic (SPM) behavior. The SPM feature (follows the Langevin model) below a paramagnetic regime begins (> or = 250 K) before a ferromagnetic A-state lines-up the successive transitions. Temperature and frequency dependence ac and dc susceptibilities describe the surface spins dynamics. PMID:23882763

  17. The half-metallicity of LiMgPdSn-type quaternary Heusler alloys FeMnScZ (Z=Al, Ga, In): A first-principle study

    SciTech Connect

    Gao, Y. C.; Gao, X.

    2015-05-15

    Based on the first-principles calculations, quaternary Heusler alloys FeMnScZ (Z=Al, Ga, In) including its phase stability, band gap, the electronic structures and magnetic properties has been studied systematically. We have found that, in terms of the equilibrium lattice constants, FeMnScZ (Z=Al, Ga, In) are half-metallic ferrimagnets, which can sustain the high spin polarization under a very large amount of lattice distortions. The half-metallic band gap in FeMnScZ (Z=Al, Ga, In) alloys originates from the t{sub 1u}-t{sub 2g} splitting instead of the e{sub u}-t{sub 1u} splitting. The total magnetic moments are 3μB per unit cell for FeMnScZ (Z=Al, Ga, In) alloys following the Slater–Pauling rule with the total number of valence electrons minus 18 rather than 24. According to the study, the conclusion can be drawn that all of these compounds which have a negative formation energy are possible to be synthesized experimentally.

  18. Large enhancement of bulk spin polarization by suppressing CoMn anti-sites in Co2Mn(Ge0.75Ga0.25) Heusler alloy thin film

    NASA Astrophysics Data System (ADS)

    Li, S.; Takahashi, Y. K.; Sakuraba, Y.; Tsuji, N.; Tajiri, H.; Miura, Y.; Chen, J.; Furubayashi, T.; Hono, K.

    2016-03-01

    We have investigated the structure and magneto-transport properties of Co2Mn(Ge0.75Ga0.25) (CMGG) Heusler alloy thin films with near-stoichiometric and Mn-rich compositions in order to understand the effect of Co-Mn anti-sites on bulk spin polarization. Anomalous x-ray diffraction measurements using synchrotron radiated x-rays confirmed that CoMn anti-sites easily form in the near-stoichiometric CMGG compound at annealing temperature higher than 400 °C, while it can be suppressed in Mn-rich CMGG films. Accordingly, large enhancement in negative anisotropic magnetoresistance of CMGG films and giant magnetoresistance (GMR) in current-perpendicular-to-plane (CPP) pseudo spin valves were observed in the Mn-rich composition. A large resistance-area product change (ΔRA) of 12.8 mΩ μm2 was demonstrated in the CPP-GMR pseudo spin valves using the Mn-rich CMGG layers after annealing at 600 °C. It is almost twice of the maximum output observed in the CPP-GMR pseudo spin valves using the near-stoichiometric CMGG. These indicate that the spin polarization of CMGG is enhanced in the Mn-rich composition through suppressing the formation of CoMn-antisites in CMGG films, being consistent with first-principle calculation results.

  19. First-principles study of the Gilbert damping constants of Heusler alloys based on the torque correlation model

    NASA Astrophysics Data System (ADS)

    Sakuma, Akimasa

    2015-04-01

    On the basis of the torque correlation model for the Gilbert damping constant α, we perform the first principles calculation for α for Co-based Heusler alloys, Co2MnAl (CMA), Co2MnSi (CMS), and Co2FeSi (CFS). In the ordered (L21) and partially disordered (B2) structures, the calculated values of α reflect half-metallicity or the gap structure around the Fermi level, EF, i.e. CMS with 100% spin-polarization has the smallest value. The valence electron number dependence of α follows the experimental trend. However, the calculated values are almost a factor of ten smaller than the measured ones. Although the α values are larger in the completely disordered (A2) structure, they are not as large as the experimental results. Therefore, the decreasing degree of order or the breakdown of the half-metallicity is not responsible for the discrepancy.

  20. Enhanced thermoelectric properties of n-type NbCoSn half-Heusler by improving phase purity

    NASA Astrophysics Data System (ADS)

    He, Ran; Huang, Lihong; Wang, Yumei; Samsonidze, Georgy; Kozinsky, Boris; Zhang, Qinyong; Ren, Zhifeng

    2016-10-01

    Here we report the thermoelectric properties of NbCoSn-based n-type half-Heuslers (HHs) that were obtained through arc melting, ball milling, and hot pressing process. With 10% Sb substitution at the Sn site, we obtained enhanced n-type properties with a maximum power factor reaching ˜35 μW cm-1 K-2 and figure of merit (ZT) value ˜0.6 in NbCoSn0.9Sb0.1. The ZT is doubled compared to the previous report. In addition, the specific power cost ( W-1) is decreased by ˜68% comparing to HfNiSn-based n-type HH because of the elimination of Hf.

  1. Growth temperature dependent structural and magnetic properties of epitaxial Co{sub 2}FeAl Heusler alloy films

    SciTech Connect

    Qiao, Shuang; Nie, Shuaihua; Zhao, Jianhua; Zhang, Xinhui

    2013-06-21

    The structural and magnetic properties of a series of Co{sub 2}FeAl Heusler alloy films grown on GaAs(001) substrate by molecular beam epitaxy have been studied. The epitaxial Co{sub 2}FeAl films with an ordered L{sub 21} structure have been successfully obtained at growth temperature of 433 K, with an in-plane cubic magnetic anisotropy superimposed with an unusual uniaxial magnetic anisotropy. With increasing growth temperature, the ordered L{sub 21} structure degrades. Meanwhile, the uniaxial anisotropy decreases and eventually disappears above 673 K. The interfacial bonding between As and Co or Fe atom is suggested to be responsible for the additional uniaxial anisotropy.

  2. Synthesis and Three-Dimensional Magnetic Field Mapping of Co2FeGa Heusler Nanowires at 5 nm Resolution.

    PubMed

    Simon, Paul; Wolf, Daniel; Wang, Changhai; Levin, Aleksandr A; Lubk, Axel; Sturm, Sebastian; Lichte, Hannes; Fecher, Gerhard H; Felser, Claudia

    2016-01-13

    We present the synthesis of Co2FeGa Heusler nanowires and the results of our investigations on their three-dimensional (3D) electric and magnetic internal and external fields mapped by electron holographic tomography (EHT). These fields will be of great importance in next-generation nanomagnets integrated in spintronics and memory devices. The Co2FeGa nanowires with a L21 ordered structure are prepared by a SBA-15 silica-assisted method. The magnetic dipole-like stray fields of several Co2FeGa nanowires are revealed by holographically reconstructed phase images. Based on the measured magnetic phase shifts of an individual nanowire and its 3D reconstruction using EHT, we obtain an internal magnetic induction with a magnitude of 1.15 T and a nonmagnetic surface layer of 10 nm thickness. Furthermore, we also reconstruct the 3D distribution of the electrostatic potential of the same nanowire.

  3. Point contact Andreev spectroscopy of epitaxial Co{sub 2}FeSi Heusler alloys on GaAs (001)

    SciTech Connect

    Lehmann, Hauke; Merkt, Ulrich; Meier, Guido; Scholtyssek, Jan M.; Herrmann, Claudia; Herfort, Jens

    2011-09-15

    The predicted half-metallicity of Co{sub 2}FeSi in combination with its high Curie temperature of above 980 K makes this Heusler alloy interesting for spinelectronics. Thin Co{sub 2}FeSi films are grown by molecular-beam epitaxy on GaAs (001) with a close lattice match. We present a study of point-contact measurements on different films, varying in thickness between 18 nm and 48 nm and in substrate temperature during deposition between 100 deg. C and 300 deg. C. Transport spin polarizations at the Fermi level are determined from differential conductance curves obtained by point-contact Andreev-reflection spectroscopy. A maximum transport spin polarization of about 60% is measured for a 18 nm thin Co{sub 2}FeSi film grown at 200 deg. C.

  4. Large half-metallic gap in ferromagnetic semi-Heusler alloys CoCrP and CoCrAs

    SciTech Connect

    Yao Zhongyu; Zhang, Y. S.; Yao, K. L.

    2012-08-06

    We investigate the electronic structure and magnetism of semi-Heusler alloys CoCrP and CoCrAs using the full-potential linearized augmented plane wave method. The calculations reveal that CoCrP and CoCrAs are half-metallic (HM) ferromagnets with the same magnetic moment of 2.00 {mu}{sub B} per formula unit. Both alloys have large half-metallic gaps (up to 0.50 eV) and wide band gaps (above 1 eV). The half-metallicity of CoCrP and CoCrAs can be retained even when their lattice constants are changed by -4.8% to 6.6% and -7.7% to 4.5%, respectively. The two alloys show great promise in the applications of spin valve and magnetic tunnel junction.

  5. Effect of compositional and antisite disorder on the electronic and magnetic properties of Ni-Mn-In Heusler alloy.

    PubMed

    Borgohain, Parijat; Sahariah, Munima B

    2015-05-01

    A systematic study has been done on the electronic and magnetic properties of metamagnetic Ni-Mn-In Heusler alloy with compositional and structural (anti-site) disorder at high temperature austenite phase. The electronic structure calculation shows an increasing Mn-Ni hybridization which occurs due to the decrease in Mn-Ni bond length as the system approaches martensite phase. The results obtained from magnetic moment calculations follow a similar trend to the previous experimental and theoretical results. The magnetic coupling parameters, Jij, obtained from the ab initio calculation explains the presence of competing ferromagnetic (FM) and antiferromagnetic (AFM) interactions in the system and the dominating AFM interactions nearer to the martensite phase.

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

    SciTech Connect

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

    2015-05-07

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

  7. Magnetic and Magnetocaloric Properties in Non-Stoichiometric Gallium Deficient Ni2MnGa1-x Heusler Alloys

    NASA Astrophysics Data System (ADS)

    Madden, Alexander; Corrigan, Mollie; Barton, Linda

    Magnetic data show that off-stoichiometric gallium deficient Heusler alloys of the form Ni2MnGa1-x have structural martensite transition temperatures that increase strongly with x, while their ferromagnetic Curie temperatures remain nearly unchanged. The martensite transition approaches room temperature for x = 0 . 13 . Samples were prepared by rf induction heating. The influence of quenching and post annealing on magnetic properties, as well as structural grain sizes and magnetic domain structure, were investigated. Since the first order structural phase transition can be adjusted to any convenient temperature, these materials offer intriguing possibilities as magnetic refrigerants. Magnetocaloric properties were investigated by direct measurement of ΔT with the application of field ΔH .

  8. Structural and magnetic properties of ion beam sputtered Co2FeAl full Heusler alloy thin films

    NASA Astrophysics Data System (ADS)

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

    2016-05-01

    Co2FeAl full Heusler alloy thin films grown at different temperatures on Si(100) substrates using ion beam sputtering system have been investigated. X-ray diffraction (XRD) patterns revealed the A2 disordered phase in these films. The deduced lattice parameter slightly increases with increase in the growth temperature. The saturation magnetization it is found to increase with increase in growth temperature. The magnetic anisotropy has been studied using angle dependent magneto-optical Kerr effect. In the room temperature deposited film, the combination of cubic and uniaxial anisotropy have been observed with weak in-plane uniaxial anisotropy which increases with growth temperature. The uniaxial anisotropy is attributed to the anisotropic interfacial bonding in these Co2FeAl /Si(100) heterostructures.

  9. Bending strain-tunable magnetic anisotropy in Co2FeAl Heusler thin film on KaptonxAE

    NASA Astrophysics Data System (ADS)

    Gueye, M.; Wague, B. M.; Zighem, F.; Belmeguenai, M.; Gabor, M. S.; Petrisor, T.; Tiusan, C.; Mercone, S.; Faurie, D.

    2014-08-01

    Bending effect on the magnetic anisotropy in 20 nm Co2FeAl Heusler thin film grown on Kapton® has been studied by ferromagnetic resonance and glued on curved sample carrier with various radii. The results reported in this Letter show that the magnetic anisotropy is drastically changed in this system by bending the thin films. This effect is attributed to the interfacial strain transmission from the substrate to the film and to the magnetoelastic behavior of the Co2FeAl film. Moreover, two approaches to determine the in-plane magnetostriction coefficient of the film, leading to a value that is close to λCFA= 14 × 10-6, have been proposed.

  10. Spin-transfer switching in full-Heusler Co2FeAl-based magnetic tunnel junctions

    NASA Astrophysics Data System (ADS)

    Sukegawa, Hiroaki; Wen, Zhenchao; Kondou, Kouta; Kasai, Shinya; Mitani, Seiji; Inomata, Koichiro

    2012-04-01

    We demonstrated spin-transfer magnetization switching using magnetic tunnel junctions (MTJs) with a full-Heusler alloy Co2FeAl (CFA). We prepared CFA (1.5 nm)/MgO/CoFe (4 nm) ("CFA-free") and CFA (30 nm)/MgO/CoFeB (2 nm) ("CFA-reference") MTJs on a Cr(001) layer. The intrinsic critical current density (Jc0) of the CFA-free (CFA-reference) MTJ was 29 MA/cm2 (7.1 MA/cm2). The larger Jc0 of the CFA-free MTJ is attributed to the significant enhancement of the Gilbert damping factor (˜0.04) of the CFA due to the Cr layer. The Jc0 of the CFA-reference is as small as that reported for typical CoFeB/MgO/CoFeB MTJs.

  11. The realization of ferro-ferrimagnetic transition and half-metallicity in half-Heusler CoMnGa alloy

    NASA Astrophysics Data System (ADS)

    Wang, L. Y.; Dai, X. F.; Wang, X. T.; Liu, X. F.; Li, P. P.; Cui, Y. T.; Liu, E. K.; Wang, W. H.; Wu, G. H.; Liu, G. D.

    2014-11-01

    We theoretically predicted that half-Heusler CoMnGa alloy to be half-metallic ferrimagnet at the equilibrium lattice parameter. With the lattice expansion, a local energy minimum occurs at a larger lattice parameter where CoMnGa alloy is in a metastable ferromagnetic state. However, a ferro-ferrimagnetic transition (Fo-Fi-T) is not observed in experiment. We found the Co-Mn antisites can induce the Fo-Fi-T by adjusting the driving force of magnetic transition and the energy barrier. The antisites are sensitive to the preparation methods and annealing temperatures. The highly ordered CoMnGa is achieved by annealing at 1073 K. The Fo-Fi-T occurs in a sample annealed at 1083 K.

  12. Magnetostructural martensitic transformations with large volume changes and magneto-strains in all-d-metal Heusler alloys

    NASA Astrophysics Data System (ADS)

    Wei, Z. Y.; Liu, E. K.; Li, Y.; Han, X. L.; Du, Z. W.; Luo, H. Z.; Liu, G. D.; Xi, X. K.; Zhang, H. W.; Wang, W. H.; Wu, G. H.

    2016-08-01

    The all-d-metal Mn2-based Heusler ferromagnetic shape memory alloys Mn50Ni40-xCoxTi10 (x = 8 and 9.5) are realized. With a generic comparison between d-metal Ti and main-group elements in lowering the transformation temperature, the magnetostructural martensitic transformations are established by further introducing Co to produce local ferromagnetic Mn-Co-Mn configurations. A 5-fold modulation and (3, -2) stacking of [00 10] of martensite are determined by X-ray diffraction and HRTEM analysis. Based on the transformation, a large magneto-strain of 6900 ppm and a large volume change of -2.54% are observed in polycrystalline samples, which makes the all-d-metal magnetic martensitic alloys of interest for magnetic/pressure multi-field driven applications.

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

    NASA Astrophysics Data System (ADS)

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

    2015-05-01

    The present pulsed high-magnetic-field study on Ni50Mn35In15 gives an extra insight into the thermodynamics of the martensitic transformation in Heusler shape-memory alloys. The transformation-entropy change, ΔS, was estimated from field-dependent magnetization experiments in pulsed high magnetic fields and by heat-capacity measurements in static fields. We found a decrease of ΔS with decreasing temperature. This behavior can be understood by considering the different signs of the lattice and magnetic contributions to the total entropy. Our results further imply that the magnetocaloric effect will decrease with decreasing temperature and, furthermore, the martensitic transition is not induced anymore by changing the temperature in high magnetic fields.

  14. Tunable damping, saturation magnetization, and exchange stiffness of half-Heusler NiMnSb thin films

    NASA Astrophysics Data System (ADS)

    Dürrenfeld, P.; Gerhard, F.; Chico, J.; Dumas, R. K.; Ranjbar, M.; Bergman, A.; Bergqvist, L.; Delin, A.; Gould, C.; Molenkamp, L. W.; Åkerman, J.

    2015-12-01

    The half-metallic half-Heusler alloy NiMnSb is a promising candidate for applications in spintronic devices due to its low magnetic damping and its rich anisotropies. Here we use ferromagnetic resonance (FMR) measurements and calculations from first principles to investigate how the composition of the epitaxially grown NiMnSb influences the magnetodynamic properties of saturation magnetization MS, Gilbert damping α , and exchange stiffness A . MS and A are shown to have a maximum for stoichiometric composition, while the Gilbert damping is minimum. We find excellent quantitative agreement between theory and experiment for MS and α . The calculated A shows the same trend as the experimental data but has a larger magnitude. In addition to the unique in-plane anisotropy of the material, these tunabilities of the magnetodynamic properties can be taken advantage of when employing NiMnSb films in magnonic devices.

  15. Perpendicularizing magnetic anisotropy of full-Heusler Co2FeAl films by cosputtering with terbium

    NASA Astrophysics Data System (ADS)

    Li, X. Q.; Xu, X. G.; Zhang, D. L.; Miao, J.; Zhan, Q.; Jalil, M. B. A.; Yu, G. H.; Jiang, Y.

    2010-04-01

    In this letter, we fabricated Co2FeAl films with perpendicular-to-plane magnetic anisotropy by cosputtering with terbium (Tb). The as-prepared (Tb+Co2FeAl) films (TCFA) consists of nanocrystalline L21 Co2FeAl and amorphous alloy of Tb(Co, Fe, and Al). The coercivity field (Hc) of the TCFA films is adjustable from 200 to 800 Oe. After annealing, the Hc decreases to 70 Oe. A perpendicularly magnetized spin valve with the TCFA films as free and reference layers shows a current-perpendicular-to-plane magnetoresistance of 1.8% at room temperature. Our result opens a way to fabricate perpendicularly magnetized full-Heusler alloys and makes it possible to realize faster and simple structured magnetic storage bits in the future.

  16. Magnetic Tunnel Junctions with Perpendicular Anisotropy Using a Co2FeAl Full-Heusler Alloy

    NASA Astrophysics Data System (ADS)

    Wen, Zhenchao; Sukegawa, Hiroaki; Kasai, Shinya; Hayashi, Masamitsu; Mitani, Seiji; Inomata, Koichiro

    2012-06-01

    We fabricated perpendicularly magnetized magnetic tunnel junctions (p-MTJs) with an ultrathin Co2FeAl (CFA) full-Heusler alloy electrode having large interface magnetic anisotropy of CFA/MgO. An out-of-plane tunnel magnetoresistance (TMR) ratio of 53% at room temperature was observed in CFA/MgO/Co20Fe60B20 p-MTJs. By inserting a 0.1-nm-thick Fe (Co50Fe50) layer between the MgO and Co20Fe60B20 layers, The TMR ratio was significantly enhanced to 91% (82%) due to the improved interface. The bias voltage dependence of differential conductance did not clearly show coherent tunneling characteristics for ultrathin CFA-MTJs, suggesting that a higher TMR ratio may be achieved by improving the B2 ordering of CFA and/or interface structure.

  17. B2+L2{sub 1} ordering in Co{sub 2}MnAl Heusler alloy

    SciTech Connect

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

    2014-04-24

    Magnetic and structural properties of B2 ordered Co{sub 2}MnAl Heusler alloy have been studied by X-ray diffraction and DC magnetization techniques. X-ray diffractogram shows the structure is of B2 type with preferential site disorder between Mn and Al atoms and presence of a small L2{sub 1} phase. DC magnetization studies at low temperature establish that the antiferromagnetic nature arises mainly due to the antiparallel coupling of spin moments of 3d electrons of Co with Mn atoms. Curie temperature (T{sub c}) is 733 K which is close to T{sub c} of the L2{sub 1} phase.

  18. The Heusler phases LiRh{sub 2}Si and LiRh{sub 2}Ge: Synthesis, structure and properties

    SciTech Connect

    Bailey, Mark S.; Li Qingan; Lobkovsky, Emil B.; Hinks, D.G.; Mitchell, J.F.

    2008-01-15

    The isostructural Heusler phases LiRh{sub 2}Si and LiRh{sub 2}Ge have been synthesized from the elements and an excess of lithium at 1000 deg. C. Both materials adopt the CuMn{sub 2}Al crystal structure, space group Fm-3m (No. 225) with the room temperature lattice parameter a=5.747(1) A [Vol=189.866(1) A{sup 3}] and a=5.847(1) A [Vol=199.88(6) A{sup 3}] for LiRh{sub 2}Si and LiRh{sub 2}Ge, respectively. X-ray analyses suggest mixed site occupancy of the form Li{sub 1-x}Rh{sub 2}Si{sub 1+x} (x<0.4), but not for LiRh{sub 2}Ge. Both materials are diamagnetic, {chi}{sub mol}(LiRh{sub 2}Si)=-6x10{sup -5} cm{sup 3}(mole){sup -1} and {chi}{sub mol}(LiRh{sub 2}Ge)=-10x10{sup -5} cm{sup 3}(mole){sup -1} and metallic with room temperature resistivities of approximately 19 and 32 {mu}{omega} cm, respectively. These properties are consistent with the calculated electronic structure. - Graphical abstract: Rh, Li and either Si or Ge form an ordered coloring pattern of the bcc lattice in the Heusler phases LiRh{sub 2}Si and LiRh{sub 2}Ge. Crystals grown from a reactive Li flux are diamagnetic metals that exhibit a T-linear resistivity above 60 K.

  19. Fabrication of highly ordered Co2Fe0.4Mn0.6Si Heusler alloy films on Si substrates

    NASA Astrophysics Data System (ADS)

    Koike, Takeo; Oogane, Mikihiko; Ono, Atsuo; Ando, Yasuo

    2016-08-01

    The structural and magnetic properties of Si(100)/MgO/Co2Fe0.4Mn0.6Si (CFMS) Heusler alloy thin films were systematically investigated. Highly B2-ordered CFMS Heusler films with an ordering parameter of ca. 70-80% were obtained by both the insertion of a very thin Mg layer into the Si/MgO interfaces to prevent oxidation of the Si surface and the optimization of the annealing temperature for the CFMS films. The prepared CFMS films exhibited high magnetization close to that of the CFMS bulk. Such highly B2-ordered CFMS films are very useful for realizing high spin injection efficiency in Si because of the half-metallicity of the CFMS films.

  20. The band structure-matched and highly spin-polarized Co{sub 2}CrZ/Cu{sub 2}CrAl Heusler alloys interface

    SciTech Connect

    Ko, V.; Han, G.; Qiu, J.; Feng, Y. P.

    2009-11-16

    Here we present a lattice- and band-matched nonmagnetic L21 Heusler alloy spacer for Co{sub 2}CrZ Heusler alloys where Z=Si or Al. By first principle calculations, we find that the band structure matching is almost perfectly satisfied when they are interfaced with Cu{sub 2}CrAl. Despite the loss of half-metallicity due to interface states, our calculations show that the spin polarization at these band-matched (001) interfaces is higher than 80%. These lattice-matched Co{sub 2}CrZ/Cu{sub 2}CrAl interfaces with excellent band matching and enhanced spin scattering asymmetry are promising for all-metallic current-perpendicular-to-plane giant magnetoresistance device applications.

  1. Half-metallicity at the Heusler alloy Co(2)Cr(0.5)Fe(0.5)Al(001) surface and its interface with GaAs(001).

    PubMed

    Zarei, Sareh; Javad Hashemifar, S; Akbarzadeh, Hadi; Hafari, Zohre

    2009-02-01

    Electronic and magnetic properties of the Heusler alloy Co(2)Cr(0.5)Fe(0.5)Al(001) surfaces and its interfaces with GaAs(001) are studied within the framework of density functional theory by using the plane-wave pseudopotential approach. The phase diagram obtained by ab initio atomistic thermodynamics shows that the CrAl surface is the most stable (001) termination of this Heusler alloy. We discuss that, at the ideal surfaces and interfaces with GaAs, half-metallicity of the alloy is lost, although the CrAl surface keeps high spin polarization. The energy band profile of the stable interface is investigated and a negative p Schottky barrier of -0.78 eV is obtained for this system.

  2. Anomalous transport properties of N i2M n1 -xC rxGa Heusler alloys at the martensite-austenite phase transition

    NASA Astrophysics Data System (ADS)

    Khan, Mahmud; Brock, Jeffrey; Sugerman, Ian

    2016-02-01

    The martensite-austenite phase transition in a series of N i2M n1 -xC rxGa Heusler alloys has been investigated by x-ray diffraction, dc magnetization, and electrical resistivity measurements. With increasing Cr concentration, the martensitic phase transformation shifts to higher temperature while the ferromagnetic transition shifts to lower temperature. For x <0.5 , the martensitic transformation occurs in a ferromagnetic state, while for x >0.5 , the transition occurs in a paramagnetic state. The Cr doping results in a reconstruction of the electronic structure, particularly, near the Fermi level, which is indicated in the resistivity data where a systematic jumplike anomaly is observed in the vicinity of the martensite-austenite phase transformation. With increasing Cr concentration, the magnitude of the jump in resistivity changes dramatically from less than 1 % to nearly 18 % The results are discussed considering the fundamental interactions in Heusler alloys.

  3. Micromagnetic study of high-power spin-torque oscillator with perpendicular magnetization in half-metallic Heusler alloy spin valve nanopillar under external magnetic fields

    NASA Astrophysics Data System (ADS)

    Huang, H. B.; Ma, X. Q.; Zhao, C. P.; Liu, Z. H.; Chen, L. Q.

    2015-01-01

    We investigated the high-power spin-torque oscillator in a half-metallic Heusler alloy Co2MnSi spin-valve nanopillars with perpendicular magnetization under external magnetic field using micromagnetic simulations. Our simulations show that the narrow optimum current of magnetization precession in the Heusler-based spin valve is broadened by introducing the surface anisotropy. The linear decrease of frequency with the out-of-plane magnetic field is obtained in our simulation. Additionally, the in-plane magnetic field dependence of frequency shows a parabolic curve which is explained by the magnetization trajectory tilting. Furthermore, we also discussed the decrease of output power using the excitation of non-uniform magnetization precession in the in-plane magnetic fields.

  4. Full-Heusler Co2FeSi alloy thin films with perpendicular magnetic anisotropy induced by MgO-interfaces

    NASA Astrophysics Data System (ADS)

    Takamura, Yota; Suzuki, Takahiro; Fujino, Yorinobu; Nakagawa, Shigeki

    2014-05-01

    A 100-nm-thick L21-ordered full-Heusler Co2FeSi (CFS) alloy film was fabricated using the facing targets sputtering (FTS) method at a substrate temperature TS of 300 °C. The degrees of L21- and B2-order for the film were 37% and 96%, respectively. In addition, full-Heusler CFS alloy thin films with perpendicular magnetic anisotropy (PMA) induced by the magnetic anisotropy of MgO-interfaces were also successfully fabricated using the FTS method. The CFS/MgO stacked layers exhibited PMA when the CFS layer had a thickness of 0.6 nm ≤ dCFS ≤ 1.0 nm. The PMA in these structures resulted from the CFS/MgO interfacial perpendicular magnetic anisotropy.

  5. Tunable ferromagnetic and antiferromagnetic interfacial exchange coupling in perpendicularly magnetized L10-MnGa/Co2FeAl Heusler bilayers

    NASA Astrophysics Data System (ADS)

    Ma, Q. L.; Mizukami, S.; Zhang, X. M.; Miyazaki, T.

    2014-12-01

    In this work, we report a tailorable exchange coupling (Jex) at the Mn62Ga38/Co2FeAl interface, where Mn62Ga38 and Co2FeAl alloys are tetragonal Heusler alloy with high perpendicular magnetic anisotropy and typical cubic Heusler alloy with soft magnetism, respectively. As the post annealing temperature (Ta) is lower than 375 °C, the Jex is ferromagnetic with strength controllable from 7.5 to 0.5 erg/cm2. Interestingly, as Ta increases higher than 400 °C, an antiferromagnetic Jex of -5.5 erg/cm2 is observed. The ferromagnetic/antiferromagnetic transition is further evidenced by the spin dependent transport property of the magnetic tunnel junctions with Mn62Ga38/Co2FeAl as electrode. Based on structure characterization, the variation of Jex during annealing is discussed.

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

    SciTech Connect

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

    2013-02-15

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

  7. High-field magnetization of heusler alloys Fe2 XY ( X = Ti, V, Cr, Mn, Fe, Co, Ni; Y = Al, Si)

    NASA Astrophysics Data System (ADS)

    Kourov, N. I.; Marchenkov, V. V.; Korolev, A. V.; Belozerova, K. A.; Weber, H. W.

    2015-10-01

    The magnetization curves of ferromagnetic Heusler alloys Fe2 XY (where X = Ti, V, Cr, Mn, Fe, Co, Ni are transition 3 d elements and Y = Al, Si are the s and p elements of the third period of the Periodic Table) have been measured at T = 4.2 K in the field range H ≤ 70 kOe. It has been shown that the high-field ( H ≥ 20 kOe) magnetization is described within the Stoner model.

  8. Ab initio calculations and synthesis of the off-stoichiometric half-Heusler phase Ni{sub 1-x}Mn{sub 1+x}Sb

    SciTech Connect

    Ekholm, M.; Larsson, P.; Alling, B.; Helmersson, U.; Abrikosov, I. A.

    2010-11-15

    We perform a combined theoretical and experimental study of the phase stability and magnetism of the off-stoichiometric Ni{sub 1-x}Mn{sub 1+x}Sb in the half-Heusler crystal phase. Our work is motivated by the need for strategies to engineer the magnetism of potentially half-metallic materials, such as NiMnSb, for improved performance at elevated temperatures. By means of ab initio calculations we investigate Ni{sub 1-x}Mn{sub 1+x}Sb over the whole composition range 0{<=}x{<=}1 of Ni replacing Mn and show that at relevant temperatures, the half-Heusler phase should be thermodynamically stable up to at least x=0.20 with respect to the competing C38 structure of Mn{sub 2}Sb. Furthermore we find that half-Heusler Ni{sub 1-x}Mn{sub 1+x}Sb retains half-metallic band structure over the whole concentration range and that the magnetic moments of substitutional Mn{sub Ni} atoms display magnetic exchange interactions an order of magnitude larger than the Ni-Mn interaction in NiMnSb. We also demonstrate experimentally that the alloys indeed can be created by synthesizing off-stoichiometric Ni{sub 1-x}Mn{sub 1+x}Sb films on MgO substrates by means of magnetron sputtering.

  9. First-Principles Study on the Structural, Electronic, Magnetic and Thermodynamic Properties of Full Heusler Alloys Co2VZ (Z = Al, Ga)

    NASA Astrophysics Data System (ADS)

    Bentouaf, Ali; Hassan, Fouad H.; Reshak, Ali H.; Aïssa, Brahim

    2016-08-01

    We report on the investigation of the structural and physical properties of the Co2VZ (Z = Al, Ga) Heusler alloys, with L21 structure, through first-principles calculations involving the full potential linearized augmented plane-wave method within density functional theory. These physical properties mainly revolve around the electronic, magnetic and thermodynamic properties. By using the Perdew-Burke-Ernzerhof generalized gradient approximation, the calculated lattice constants and spin magnetic moments were found to be in good agreement with the experimental data. Furthermore, the thermal effects using the quasi-harmonic Debye model have been investigated in depth while taking into account the lattice vibrations, the temperature and the pressure effects on the structural parameters. The heat capacities, the thermal expansion coefficient and the Debye temperatures have also been determined from the non-equilibrium Gibbs functions. An application of the atom in molecule theory is presented and discussed in order to analyze the bonding nature of the Heusler alloys. The focus is on the mixing of the metallic and covalent behavior of Co2VZ (Z = Al, Ga) Heusler alloys.

  10. Polybenzimidazole compounds

    DOEpatents

    Klaehn, John R.; Peterson, Eric S.; Wertsching, Alan K.; Orme, Christopher J.; Luther, Thomas A.; Jones, Michael G.

    2010-08-10

    A PBI compound that includes imidazole nitrogens, at least a portion of which are substituted with an organic-inorganic hybrid moiety. At least 85% of the imidazole nitrogens may be substituted. The organic-inorganic hybrid moiety may be an organosilane moiety, for example, (R)Me.sub.2SiCH.sub.2--, where R is selected from among methyl, phenyl, vinyl, and allyl. The PBI compound may exhibit similar thermal properties in comparison to the unsubstituted PBI. The PBI compound may exhibit a solubility in an organic solvent greater than the solubility of the unsubstituted PBI. The PBI compound may be included in separatory media. A substituted PBI synthesis method may include providing a parent PBI in a less than 5 wt % solvent solution. Substituting may occur at about room temperature and/or at about atmospheric pressure. Substituting may use at least five equivalents in relation to the imidazole nitrogens to be substituted or, preferably, about fifteen equivalents.

  11. Polybenzimidazole compounds

    DOEpatents

    Klaehn, John R.; Peterson, Eric S.; Orme, Christopher J.; Jones, Michael G.; Wertsching, Alan K.; Luther, Thomas A.; Trowbridge, Tammy L.

    2011-11-22

    A PBI compound includes imidazole nitrogens at least a portion of which are substituted with a moiety containing a carbonyl group, the substituted imidazole nitrogens being bonded to carbon of the carbonyl group. At least 85% of the nitrogens may be substituted. The carbonyl-containing moiety may include RCO--, where R is alkoxy or haloalkyl. The PBI compound may exhibit a first temperature marking an onset of weight loss corresponding to reversion of the substituted PBI that is less than a second temperature marking an onset of decomposition of an otherwise identical PBI compound without the substituted moiety. The PBI compound may be included in separatory media. A substituted PBI synthesis method may include providing a parent PBI in a less than 5 wt % solvent solution. Substituting may use more than 5 equivalents in relation to the imidazole nitrogens to be substituted.

  12. Multipurpose Compound

    NASA Technical Reports Server (NTRS)

    1983-01-01

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

  13. Panoscopically optimized thermoelectric performance of a half-Heusler/full-Heusler based in situ bulk composite Zr(0.7)Hf(0.3)Ni(1+x)Sn: an energy and time efficient way.

    PubMed

    Bhardwaj, A; Chauhan, N S; Sancheti, Bhagyashree; Pandey, G N; Senguttuvan, T D; Misra, D K

    2015-11-28

    All scale hierarchical architecturing, matrix/inclusion band alignment and intra-matrix electronic structure engineering, the so called panoscopic approach for thermoelectric materials has been demonstrated to be an effective paradigm for optimizing high ZT. To achieve such hierarchically organized microstructures, composition engineering has been considered to be an efficient strategy. In this work, such a panoscopic concept has been extended to demonstrate for the first time in the case of half-Heusler based thermoelectric materials via a composition engineering route. A series of new off-stoichiometric n-type Zr0.7Hf0.3Ni1+xSn (0 ≤x≤ 0.10) HH compositions have been modified to derive HH(1 -x)/full-Heusler (FH)(x) composite with an all scale hierarchically modified microstructure with FH inclusions within the matrix to study the temperature dependent thermoelectric properties. The structural analysis employing XRD, FE-SEM and HR-TEM of these materials reveal a composite of HH and FH, with hierarchically organized microstructures. In such a submicron/nano-composite, the electronic properties are observed to be well optimized yielding a large power factor; α(2)σ (∼30.7 × 10(-4) W m(-1) K(-2) for Zr0.7Hf0.3Ni1.03Sn) and reduced thermal conductivity (∼2.4 W m(-1) K(-1) for Zr0.7Hf0.3Ni1.03Sn) yielding a high ZT∼ 0.96 at 773 K for composition Zr0.7Hf0.3Ni1.03Sn which is ∼250% larger than the normal HH Zr0.7Hf0.3NiSn (ZT∼ 0.27 at 773 K). The enhancement in ZT of these composites has been discussed in terms of primary electron filtering, electron injection and several phonon scattering mechanisms such as alloy scattering, point defect scattering, and grain boundary scattering. The Bergman and Fel model is used to calculate effective thermoelectric parameters of these composites for comparing the experimental results. PMID:26499748

  14. Panoscopically optimized thermoelectric performance of a half-Heusler/full-Heusler based in situ bulk composite Zr(0.7)Hf(0.3)Ni(1+x)Sn: an energy and time efficient way.

    PubMed

    Bhardwaj, A; Chauhan, N S; Sancheti, Bhagyashree; Pandey, G N; Senguttuvan, T D; Misra, D K

    2015-11-28

    All scale hierarchical architecturing, matrix/inclusion band alignment and intra-matrix electronic structure engineering, the so called panoscopic approach for thermoelectric materials has been demonstrated to be an effective paradigm for optimizing high ZT. To achieve such hierarchically organized microstructures, composition engineering has been considered to be an efficient strategy. In this work, such a panoscopic concept has been extended to demonstrate for the first time in the case of half-Heusler based thermoelectric materials via a composition engineering route. A series of new off-stoichiometric n-type Zr0.7Hf0.3Ni1+xSn (0 ≤x≤ 0.10) HH compositions have been modified to derive HH(1 -x)/full-Heusler (FH)(x) composite with an all scale hierarchically modified microstructure with FH inclusions within the matrix to study the temperature dependent thermoelectric properties. The structural analysis employing XRD, FE-SEM and HR-TEM of these materials reveal a composite of HH and FH, with hierarchically organized microstructures. In such a submicron/nano-composite, the electronic properties are observed to be well optimized yielding a large power factor; α(2)σ (∼30.7 × 10(-4) W m(-1) K(-2) for Zr0.7Hf0.3Ni1.03Sn) and reduced thermal conductivity (∼2.4 W m(-1) K(-1) for Zr0.7Hf0.3Ni1.03Sn) yielding a high ZT∼ 0.96 at 773 K for composition Zr0.7Hf0.3Ni1.03Sn which is ∼250% larger than the normal HH Zr0.7Hf0.3NiSn (ZT∼ 0.27 at 773 K). The enhancement in ZT of these composites has been discussed in terms of primary electron filtering, electron injection and several phonon scattering mechanisms such as alloy scattering, point defect scattering, and grain boundary scattering. The Bergman and Fel model is used to calculate effective thermoelectric parameters of these composites for comparing the experimental results.

  15. Perfluorinated Compounds

    EPA Science Inventory

    Perfluorinated compounds such as the perfluoroalkyl acids (PFAAs) and their derivatives are important man-made chemicals that have wide consumer and industrial applications. They are relatively contemporary chemicals, being in use only since the 1950s, and until recently, have be...

  16. Magnesium compounds

    USGS Publications Warehouse

    Kramer, D.A.

    2001-01-01

    Seawater and natural brines accounted for about 63% of US magnesium compounds production during 2000. Premier Services in Florida, Dow Chemical in Michigan, Martin Marietta Magnesia Specialties, and Rohm & Haas recovered dead-burned and caustic-calcined magnesias from seawater. And Premier Services' recoveries, in Nevada, were from magnasite.

  17. Fermi surface study of ScAu{sub 2}(Al, In) and ScPd{sub 2}(Sn, Pb) compounds

    SciTech Connect

    Reddy, P. V. Sreenivasa; Kanchana, V.; Vaitheeswaran, G.

    2015-06-24

    A detailed study on the electronic structure and Fermi surface (FS) of superconducting Heusler compounds ScAu{sub 2}(Al, In) and ScPd{sub 2}(Sn, Pb) has been carried out using first principles electronic structure calculations. The spin orbit coupling is found to play a major role in understanding the band structure and FS. Analysis of the data shows the importance of spin orbit coupling effect in the above compounds. The bands which cross Fermi level (EF) are found to be dominated by the Sc d{sub t2g}-states. The calculated total density of states are in good agreement with the experimentally reported value for ScPd{sub 2}Sn. Under compression we find a change in the Fermi surface topology of ScPd{sub 2}Sn at V/V{sub 0} = 0.95 (pressure of≈15 GPa), which is explained using the band structure calculations.

  18. Magnesium compounds

    USGS Publications Warehouse

    Kramer, D.A.

    2006-01-01

    In 2005, seawater and natural brines accounted for 51% of US magnesium compounds production. World magnesia production was estimated to be 14.5 Mt. Most of the production came from China, North Korea, Russia and Turkey. Although no specific production figures are available, Japan and the United States are estimated to account for almost one-half of the world's capacity from seawater and brines.

  19. Organic Compounds

    NASA Astrophysics Data System (ADS)

    Shankland, Kenneth

    For many years, powder X-ray diffraction was used primarily as a fingerprinting method for phase identification in the context of molecular organic materials. In the early 1990s, with only a few notable exceptions, structures of even moderate complexity were not solvable from PXRD data alone. Global optimisation methods and highly-modified direct methods have transformed this situation by specifically exploiting some well-known properties of molecular compounds. This chapter will consider some of these properties.

  20. Magnesium compounds

    USGS Publications Warehouse

    Kramer, D.A.

    2003-01-01

    Seawater and natural brines accounted for about 60 percent of U.S. magnesium compounds production during 2002. Dead-burned and caustic-calcined magnesias were recovered from seawater by Premier Chemicals in Florida. They were also recovered from well brines in Michigan by Dow Chemical, Martin Marietta Magnesia Specialties and Rohm & Haas. And they were recovered from magnesite in Nevada by Premier Chemicals.

  1. Coherent tunnelling conductance in magnetic tunnel junctions of half-metallic full Heusler alloys with MgO barriers.

    PubMed

    Miura, Yoshio; Uchida, Hirohisa; Oba, Yoshihiro; Nagao, Kazutaka; Shirai, Masafumi

    2007-09-12

    We have carried out electronic structure and transport calculations for magnetic tunnel junctions (MTJ) composed of MgO and a half-metallic full Heusler alloy Co(2)MnSi on the basis of the density functional theory and the Landauer formula. We find that the density of states of Co atoms at the Co(2)MnSi/MgO(001) interface shifts toward the higher energy side due to the reduced symmetry, leading to a reduction of the spin polarization at the interface. Furthermore, we show that the majority-spin transmittance as a function of the in-plane wavevector [Formula: see text] has a broad peak centred at [Formula: see text] due to the tunnelling from the Δ(1) channel of Co(2)MnSi, while the transmittance from the Δ(5) channel is three orders of magnitude smaller than that of the Δ(1) channel. These results indicate that coherent tunnelling through the Δ(1) band is dominant also in an MTJ with Co(2)MnSi and an MgO barrier, like in Fe/MgO/Fe(001) MTJ and related systems.

  2. Effect of Off-Stoichiometry on the Thermoelectric Properties of Heusler-Type Fe2VAl Sintered Alloys

    NASA Astrophysics Data System (ADS)

    Mikami, M.; Inukai, M.; Miyazaki, H.; Nishino, Y.

    2016-03-01

    Heusler-type Fe2V1- x Al1+ x sintered alloys with micrometer-sized grains were fabricated by the powder metallurgical process using mechanical alloying and pulse-current sintering. Both positive (˜90 μV/K) and negative (˜-140 μV/K) Seebeck coefficients were obtained for the composition ranges of x > 0 and x < 0, respectively, resulting from a Fermi level shift caused by the change in the valence electron concentration. The electrical resistivity was reduced by the carrier doping effect, especially at lower temperatures, resulting in an increased thermoelectric power factor of 2.8 mW/m-K2 for the p-type alloy with x = 0.06 and 5.0 mW/m-K2 for the n-type alloy with x = -0.06. In addition, the lattice thermal conductivity decreased with | x| because of phonon scattering at crystal lattice defects induced by the off-stoichiometry. Consequently, the thermoelectric figure of merit, ZT, was enhanced and reached 0.07 for p-type alloys with 0.06 < x < 0.15 and 0.18 for n-type alloys with -0.15 < x < -0.10 around 500 K. The ZT value was especially enhanced at higher temperatures by the off-stoichiometric composition control, which could extend the range of heat source temperatures for thermoelectric power generation applications using this alloy.

  3. Large tunnel magnetoresistance at room temperature with a Co{sub 2}FeAl full-Heusler alloy electrode

    SciTech Connect

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

    2005-06-06

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

  4. Multi-temperature synchrotron PXRD and physical properties study of half-Heusler TiCoSb.

    PubMed

    Skovsen, I; Bjerg, L; Christensen, M; Nishibori, E; Balke, B; Felser, C; Iversen, B B

    2010-11-14

    Phase pure samples of the half-Heusler material TiCoSb were synthesised and investigated. Multi-temperature synchrotron powder X-ray diffraction (PXRD) data measured between 90 and 1000 K in atmospheric air confirm the phase purity, but they also reveal a decomposition reaction starting at around 750 K. This affects the high temperature properties since TiCoSb is semiconducting, whereas CoSb is metallic. Between 90 K and 300 K the linear thermal expansion coefficient is estimated to be 10.5 × 10(-6) K(-1), while it is 8.49 10(-6) K(-1) between 550 K and 1000 K. A fit of a Debye model to the Atomic Displacement Parameters obtained from Rietveld refinement of the PXRD data gives a Debye temperature of 395(4) K. The heat capacity was measured between 2 K and 300 K and a Debye temperature of 375(5) K was obtained from modelling of the data. Coming from low temperatures the electrical resistivity shows a metallic to semiconducting transition at 113 K. A relatively high Seebeck coefficient of ∼-250 μV K(-1) was found at 400 K, but the substantial thermal conductivity (∼10 W mK(-1) at 400 K) leads to a moderate thermoelectric figure of merit of 0.025 at 400 K.

  5. Over 50% reduction in the formation energy of Co-based Heusler alloy films by two-dimensional crystallisation

    SciTech Connect

    Sagar, James; Fleet, Luke R.; Walsh, Michael; Whear, Oliver; Huminiuc, Teodor; Lari, Leonardo; Boyes, Edward D.; Vick, Andrew; Hirohata, Atsufumi

    2014-07-21

    Crystalline formation of high magnetic-moment thin films through low-temperature annealing processes compatible with current semiconductor technologies is crucial for the development of next generation devices, which can utilise the spin degree of freedom. Utilising in-situ aberration corrected electron microscopy, we report a 235 °C crystallisation process for a Co-based ternary Heusler-alloy film whose initial nucleation is initiated by as few as 27 unit cells. The crystallisation occurs preferentially in the 〈111〉 crystalline directions via a two-dimensional (2D) layer-by-layer growth mode; resulting in grains with [110] surface normal and [111] plane facets. This growth process was found to reduce the crystallisation energy by more than 50% when compared to bulk samples whilst still leading to the growth of highly ordered grains expected to give a high degree of spin-polarisation. Our findings suggest that the 2D layer-by-layer growth minimises the crystallisation energy allowing for the possible implementation of highly spin-polarised alloy films into current chip and memory technologies.

  6. Epitaxial growth of Heusler alloy Co{sub 2}MnSi/MgO heterostructures on Ge(001) substrates

    SciTech Connect

    Li Guifang; Taira, Tomoyuki; Matsuda, Ken-ichi; Arita, Masashi; Uemura, Tetsuya; Yamamoto, Masafumi

    2011-06-27

    We prepared Heusler alloy Co{sub 2}MnSi/MgO heterostructures on single-crystal Ge(001) substrates through magnetron sputtering for Co{sub 2}MnSi and electron beam evaporation for MgO as a promising candidate for future generation spin-based functional devices. Structural investigations showed that the Co{sub 2}MnSi/MgO heterostructure was grown epitaxially on a Ge(001) substrate with extremely smooth and abrupt interfaces and showed the L2{sub 1} structure for the Co{sub 2}MnSi film. Furthermore, a sufficiently high saturation magnetization ({mu}{sub s}) value of 5.1 {mu}{sub B}/f.u. at 10 K, which is close to the theoretically predicted {mu}{sub s} of 5.0 {mu}{sub B}/f.u. for half-metallic Co{sub 2}MnSi, was obtained for prepared Co{sub 2}MnSi films.

  7. Tuning of Magnetic Properties of Ni-Mn-In-Co Heusler-Type Glass-Coated Microwires

    NASA Astrophysics Data System (ADS)

    Zhukova, Valentina; Ipatov, Mihail; Aronin, Alexandr; Abrosimova, Galina; Kiselev, Alexandr; Zhukov, Arcady

    2015-09-01

    We report on the magnetic properties and structure of Heusler-type NiMnIn(Co) glass-coated microwires with metallic nucleus diameters ranging from 13 to 23 μm and total diameters from 47 to 55 μm, prepared by the Taylor-Ulitovsky technique. We measured the temperature dependence of magnetization of as-prepared glass-coated microwires and those annealed at 823 K. The as-prepared glass-coated microwires are paramagnetic at room temperature exhibiting ferromagnetic ordering below 220 K. The annealed NiMnIn samples have a Curie temperature of 240 K. At room temperature, all the studied samples present a single cubic phase with lattice constant lattice parameters: 0.5913 nm for Ni50Mn35In15, 0.5888 nm for Ni42.5Mn37.5In12.5Co7.5 and 0.5884 nm for Ni45Mn36.5In13.5Co5. Both as-prepared and annealed microwires exhibit unusual magnetization growth near the Curie temperature and a considerable difference in M( T) for field-cooled and zero-field-cooled dependences. The considerable dependence of magnetization on a magnetic field below and near the Curie temperature can be related to the two-phase structure or the Hopkinson effect.

  8. Martensitic transition, magnetic, magnetocaloric and exchange bias properties of Fe-substituted Mn-Ni-Sn Heusler alloys

    NASA Astrophysics Data System (ADS)

    Sharma, Jyoti; Suresh, K. G.

    2016-12-01

    In this report, effect of Fe substitution on martensitic transition, magnetic, magnetocaloric and exchange bias (EB) properties of Mn50Ni40-xFexSn10 (x=0, 0.5, 1, 1.5, 2 and 3) Heusler alloys series has been investigated systematically. Fe substitution has been found to affect the ferromagnetic/antiferromagnetic interactions significantly in both the martensite and austenite phases. Martensitic transition temperature decreases with increasing Fe content, which is attributed to the decrease in number of average valence electrons per atom (e/a ratio) of these alloys. Large magnetic entropy change (ΔSM) and refrigerant capacity (RC) have been observed in these alloys, as a maximum ΔSM of ~12.6 J/kg. K is observed for composition x=0.5. Present alloys have also been found to show large exchange bias properties, as maximum exchange bias fields (HEB) of 890 Oe and 810 Oe are observed for x=0 and 0.5, respectively at 5 K. Composition and temperature dependencies of EB are associated with the change in exchange anisotropy at interfaces of competing magnetic phases. Study of minor loop and training effect also corroborates with the presence of EB in these alloys.

  9. Relation between martensitic transformation temperature range and lattice distortion ratio of NiMnGaCoCu Heusler alloys

    NASA Astrophysics Data System (ADS)

    Wei, Jun; Xie, Ren; Chen, Le-Yi; Tang, Yan-Mei; Xu, Lian-Qiang; Tang, Shao-Long; Du, You-Wei

    2014-04-01

    In order to study the relation between martensitic transformation temperature range ΔT (where ΔT is the difference between martensitic transformation start and finish temperature) and lattice distortion ratio (c/a) of martensitic transformation, a series of Ni46Mn28-xGa22Co4Cux (x = 2-5) Heusler alloys is prepared by arc melting method. The vibration sample magnetometer (VSM) experiment results show that ΔT increases when x > 4 and decreases when x < 4 with x increasing, and the minimal ΔT (about 1 K) is found at x = 4. Ambient X-ray diffraction (XRD) results show that ΔT is proportional to c/a for non-modulated Ni46Mn28-xGa22Co4Cux (x = 2-5) martensites. The relation between ΔT and c/a is in agreement with the analysis result obtained from crystal lattice mismatch model. About 1000-ppm strain is found for the sample at x = 4 when heating temperature increases from 323 K to 324 K. These properties, which allow a modulation of ΔT and temperature-induced strain during martensitic transformation, suggest Ni46Mn24Ga22Co4Cu4 can be a promising actuator and sensor.

  10. Galvanomagnetic properties of Fe{sub 2}YZ (Y = Ti, V, Cr, Mn, Fe, Ni; Z = Al, Si) heusler alloys

    SciTech Connect

    Kourov, N. I. Marchenkov, V. V.; Belozerova, K. A.; Weber, H. W.

    2015-11-15

    The Hall effect and the magnetoresistance of Fe{sub 2}YZ Heusler alloys, where Y = Ti, V, Cr, Mn, Fe, and Ni, are the 3d transition metals and Z = Al and Si are the s, p elements of the third period of the periodic table, are studied at T = 4.2 K in magnetic fields H ≤ 100 kOe. It is shown that, in the high-field limit (H > 10 kOe), the value and the sign of the normal (R{sub 0}) and anomalous (R{sub s}) Hall coefficients change anomalously during transition from paramagnetic (Y = Ti, V) to ferromagnetic (Y = Cr, Mn, Fe, Ni) alloys. These coefficients have different signs for all alloys. Constant R{sub s} in the ferromagnetic alloys is positive, proportional to the residual resistivity ratio (R{sub s} ∝ ρ{sub 0}{sup 3.1}), and inversely proportional to spontaneous magnetization. The magnetoresistance of the alloys is a few percent and has a negative sign. A positive addition to transverse magnetoresistance is only detected in high magnetic fields, H > 10 kOe.

  11. Electric field tunability of microwave soft magnetic properties of Co2FeAl Heusler alloy film

    NASA Astrophysics Data System (ADS)

    Li, Shandong; Xu, Jie; Xue, Qian; Du, Honglei; Li, Qiang; Chen, Caiyun; Yang, Ru; Xie, Shiming; Liu, Ming; Nan, Tianxiang; Sun, Nian X.; Shao, Weiquan

    2015-05-01

    Co2FeAl Heusler alloy film with 100 nm in thickness was sputtered on (011)-cut lead zinc niobate-lead titanate (PZN-PT) single crystal slabs. It was revealed that this multiferroic laminate shows very large electric field (E-field) tunability of microwave soft magnetic properties. With the increase of electric field from 0 to 8 kV/cm on PZN-PT, the anisotropy field, HK, of the Co2FeAl film along [100] direction of PZN-PT is dramatically enhanced from 65 to 570 Oe due to the strong magnetoelectric (ME) coupling between ferromagnetic Co2FeAl film and ferroelectric substrate. At the same time, the damping constant α of Co2FeAl film dramatically decreases from 0.20 to 0.029. As a result, a significantly shift of self-biased ferromagnetic resonance frequency, fFMR, from 1.86 to 6.68 GHz with increment of 3.6 times was obtained. These features demonstrate that Co2FeAl/PZN-PT multiferroic laminate is promising in fabrication of E-field tunable microwave components.

  12. Temperature dependence of tunneling magnetoresistance in epitaxial magnetic tunnel junctions using a Co2FeAl Heusler alloy electrode

    NASA Astrophysics Data System (ADS)

    Wang, Wenhong; Sukegawa, Hiroaki; Inomata, Koichiro

    2010-09-01

    Spin-valve-type epitaxial magnetic tunnel junctions (MTJs) consisting of a full-Heusler alloy Co2FeAl (CFA) and a MgO tunnel barrier were fabricated on a single-crystal MgO(001) substrate using sputtering method for all the layers. Experimental temperature-dependent tunnel magnetoresistance in the MTJs was revealed to be fitted well using spin wave excitation model for tunneling spin polarization, P(T)=P0(1-αT3/2) up to room temperature, where P0 is the spin polarization at 0 K and α is a fitting parameter. The determined P and α are shown to be significantly different between bottom and top CFA electrodes facing a MgO barrier. It is demonstrated that the bottom CFA deposited on a Cr buffer has a low α and behaves as a half-metal with P˜1 in terms of the Δ1 symmetry due to the coherent tunneling through a MgO barrier.

  13. Galvanomagnetic properties of Fe2YZ (Y = Ti, V, Cr, Mn, Fe, Ni; Z = Al, Si) heusler alloys

    NASA Astrophysics Data System (ADS)

    Kourov, N. I.; Marchenkov, V. V.; Belozerova, K. A.; Weber, H. W.

    2015-11-01

    The Hall effect and the magnetoresistance of Fe2YZ Heusler alloys, where Y = Ti, V, Cr, Mn, Fe, and Ni, are the 3 d transition metals and Z = Al and Si are the s, p elements of the third period of the periodic table, are studied at T = 4.2 K in magnetic fields H ≤ 100 kOe. It is shown that, in the high-field limit ( H > 10 kOe), the value and the sign of the normal ( R 0) and anomalous ( R s ) Hall coefficients change anomalously during transition from paramagnetic (Y = Ti, V) to ferromagnetic (Y = Cr, Mn, Fe, Ni) alloys. These coefficients have different signs for all alloys. Constant R s in the ferromagnetic alloys is positive, proportional to the residual resistivity ratio ( R s ∝ ρ 0 3.1 ), and inversely proportional to spontaneous magnetization. The magnetoresistance of the alloys is a few percent and has a negative sign. A positive addition to transverse magnetoresistance is only detected in high magnetic fields, H > 10 kOe.

  14. First-principles study of martensitic transformation and magnetic properties of carbon doped Ni-Mn-Sn Heusler alloys

    NASA Astrophysics Data System (ADS)

    Xiao, Haibo; Yang, Changping; Wang, Ruilong; Xu, Linfang; Liu, Guozhen; Marchenkov, V. V.

    2016-10-01

    The magnetic properties, structural stabilities and martensitic transformation of carbon doped Ni-Mn-Sn Heusler alloys are investigated by means of ab initio calculations in framework of the density functional theory. The results of calculations have shown that the martensitic transformation can be realized in all series of carbon doped Ni2Mn1.5Sn0.5 - xCx alloys with tetragonal ratio of 1.34, 1.40,1.42 and 1.44, respectively for x = 0.125 , 0.25 , 0.375 and 0.5. The DOS peak at the Fermi level almost disappearing in the tetragonal phase near the Fermi level is the evidence of triggering martensitic transformation which is due to the structural Jahn-Teller effect. We have also found that the difference between the austenitic and martensitic phases increases with increasing carbon content, which implies an enhancement of the martensitic phase transition temperature (TM). Besides, the electron density difference shows the enhancement of bonding between Mn and carbon atoms with the distortion taken place.

  15. On the half-metallicity of Co2FeSi Heusler alloy: Point-contact Andreev reflection spectroscopy and ab initio study

    NASA Astrophysics Data System (ADS)

    Makinistian, L.; Faiz, Muhammad M.; Panguluri, Raghava P.; Balke, B.; Wurmehl, S.; Felser, C.; Albanesi, E. A.; Petukhov, A. G.; Nadgorny, B.

    2013-06-01

    Co2FeSi, a Heusler alloy with the highest magnetic moment per unit cell and the highest Curie temperature, has largely been described theoretically as a half-metal. This conclusion, however, disagrees with point contact Andreev reflection (PCAR) spectroscopy measurements, which give much lower values of spin polarization, P. Here, we present the spin polarization measurements of Co2FeSi by the PCAR technique, along with a thorough computational exploration, within the DFT and a GGA+U approach, of the Coulomb exchange U parameters for Co and Fe atoms, taking into account spin-orbit coupling. We find that the orbital contribution (mo) to the total magnetic moment (mT) is significant, since it is at least 3 times greater than the experimental uncertainty of mT. The account of mo radically affects the acceptable values of U. Specifically, we find no values of U that would simultaneously satisfy the experimental values of the magnetic moment and result in the half-metallicity of Co2FeSi. On the other hand, the ranges of U that we report as acceptable are compatible with spin polarization measurements (ours and the ones found in the literature), which all are within approximately the 40-60 % range. Thus, based on reconciling experimental and computational results, we conclude that (a) spin-orbit coupling cannot be neglected in calculating Co2FeSi magnetic properties, and (b) Co2FeSi Heusler alloy is not half-metallic. We believe that our approach can be applied to other Heusler alloys such as Co2FeAl.

  16. Structural and chemical ordering of Heusler CoxMnyGez epitaxial films on Ge (111). Quantitative study using traditional and anomalous x-ray diffraction techniques

    DOE PAGESBeta

    Collins, B. A.; Chu, Y.; He, L.; Haskel, D.; Tsui, F.

    2015-12-14

    We found that epitaxial films of CoxMnyGez grown on Ge (111) substrates by molecular-beam-epitaxy techniques have been investigated as a continuous function of composition using combinatorial synchrotron x-ray diffraction (XRD) and x-ray fluorescence (XRF) spectroscopy techniques. A high-resolution ternary epitaxial phase diagram is obtained, revealing a small number of structural phases stabilized over large compositional regions. Ordering of the constituent elements in the compositional region near the full Heusler alloy Co2MnGe has been examined in detail using both traditional XRD and a new multiple-edge anomalous diffraction (MEAD) technique. Multiple-edge anomalous diffraction involves analyzing the energy dependence of multiple reflections acrossmore » each constituent absorption edge in order to detect and quantify the elemental distribution of occupation in specific lattice sites. Results of this paper show that structural and chemical ordering are very sensitive to the Co : Mn atomic ratio, such that the ordering is the highest at an atomic ratio of 2 but significantly reduced even a few percent off this ratio. The in-plane lattice is nearly coherent with that of the Ge substrate, while the approximately 2% lattice mismatch is accommodated by the out-of-plane tetragonal strain. Furthermore, the quantitative MEAD analysis reveals no detectable amount (<0.5%) of Co-Mn site swapping, but instead high levels (26%) of Mn-Ge site swapping. Increasing Ge concentration above the Heusler stoichiometry (Co 0.5 Mn 0.25 Ge 0.25 ) is shown to correlate with increased lattice vacancies, antisites, and stacking faults, but reduced lattice relaxation. The highest degree of chemical ordering is observed off the Heusler stoichiometry with a Ge enrichment of 5 at.%.« less

  17. Magnesium compounds

    USGS Publications Warehouse

    Kramer, D.A.

    2002-01-01

    Seawater and natural brines accounted for about 60% of US magnesium compounds production in 2001. Dead-burned and caustic-calcined magnesias were recovered from seawater in Florida by Premier Chemicals. They were also recovered from Michigan well brines by Dow Chemical, Martin Marietta Magnesia Specialties and Rohm & Haas. And Premier Chemicals recovered dead-burned and caustic-calcined magnesias from magnesite in Nevada. Reilly Industries and Great Salt Lake Minerals recovered magnesium chloride brines from the Great Salt Lake in Utah.

  18. Magnesium compounds

    USGS Publications Warehouse

    Kramer, D.A.

    2010-01-01

    Seawater and natural brines accounted for about 40 percent of U.S. magnesium compounds production in 2009. Dead-burned magnesia was produced by Martin Marietta Magnesia Specialties from well brines in Michigan. Caustic-calcined magnesia was recovered from seawater by Premier Chemicals in Florida, from well brines in Michigan by Martin Marietta and from magnesite in Nevada by Premier Chemicals. Intrepid Potash-Wendover, and Great Salt Lake Minerals Corp. recovered magnesium chloride brines from the Great Salt Lake in Utah. Magnesium hydroxide was produced from seawater by SPI Pharma in Delaware and Premier Chemicals in Florida, and by Martin Marietta from its operation mentioned above.

  19. Magnesium compounds

    USGS Publications Warehouse

    Kramer, D.A.

    2011-01-01

    Seawater and natural brines accounted for about 54 percent of U.S. magnesium compounds production in 2010. Dead-burned magnesia was produced by Martin Marietta Magnesia Specialties from well brines in Michigan. Caustic-calcined magnesia was recovered from seawater by Premier Magnesia in Florida, from well brines in Michigan by Martin Marietta and from magnesite in Nevada by Premier Magnesia. Intrepid Potash-Wendover and Great Salt Lake Minerals Corp. recovered magnesium chloride brines from the Great Salt Lake in Utah. Magnesium hydroxide was produced from seawater by SPI Pharma in Delaware and Premier Magnesia in Florida, and by Martin Marietta from its operation mentioned above.

  20. Modelling current-induced magnetization switching in Heusler alloy Co{sub 2}FeAl-based spin-valve nanopillar

    SciTech Connect

    Huang, H. B.; Ma, X. Q.; Liu, Z. H.; Zhao, C. P.; Chen, L. Q.

    2014-04-07

    We investigated the current-induced magnetization switching in a Heusler alloy Co{sub 2}FeAl-based spin-valve nanopillar by using micromagnetic simulations. We demonstrated that the elimination of the intermediate state is originally resulted from the decease of effective magnetic anisotropy constant. The magnetization switching can be achieved at a small current density of 1.0 × 10{sup 4} A/cm{sup 2} by increasing the demagnetization factors of x and y axes. Based on our simulation, we found magnetic anisotropy and demagnetization energies have different contributions to the magnetization switching.

  1. Fe{sub 2-x}Co{sub x}MnSi (x = 0, 1 and 2) Heusler alloys: Structural, magnetic and atomic site disorder properties

    SciTech Connect

    Bhatt, Harsh; Mukadam, M. D.; Meena, S. S.; Yusuf, S. M.

    2015-06-24

    The Heusler alloy series Fe{sub 2-x}Co{sub x}MnSi (x = 0, 1 and 2) is theoretically predicted to be half metallic. We prepared the sample series and determined the structural and magnetic properties to check if these materials are suitable for spintronics applications. The Curie temperatures of two of the alloys have been found to be well above the room temperature. But the presence of elements with atoms of similar size leads to atomic site disorder in these alloys, which may destroy the half metallic nature. The atomic site disorder has been confirmed by Mössbauer spectroscopy.

  2. Magnesium compounds

    USGS Publications Warehouse

    Kramer, D.A.

    2007-01-01

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

  3. Bismaleimide compounds

    DOEpatents

    Adams, J.E.; Jamieson, D.R.

    1986-01-14

    Bismaleimides of the formula shown in the diagram wherein R[sub 1] and R[sub 2] each independently is H, C[sub 1-4]-alkyl, C[sub 1-4]-alkoxy, Cl or Br, or R[sub 1] and R[sub 2] together form a fused 6-membered hydrocarbon aromatic ring, with the proviso that R[sub 1] and R[sub 2] are not t-butyl or t-butoxy; X is O, S or Se; n is 1--3; and the alkylene bridging group, optionally, is substituted by 1--3 methyl groups or by fluorine, form polybismaleimide resins which have valuable physical properties. Uniquely, these compounds permit extended cure times, i.e., they remain fluid for a time sufficient to permit the formation of a homogeneous melt prior to curing.

  4. Bismaleimide compounds

    DOEpatents

    Adams, Johnnie E.; Jamieson, Donald R.

    1986-01-14

    Bismaleimides of the formula ##STR1## wherein R.sub.1 and R.sub.2 each independently is H, C.sub.1-4 -alkyl, C.sub.1-4 -alkoxy, C1 or Br, or R.sub.1 and R.sub.2 together form a fused 6-membered hydrocarbon aromatic ring, with the proviso that R.sub.1 and R.sub.2 are not t-butyl or t-butoxy; X is O, S or Se; n is 1-3; and the alkylene bridging group, optionally, is substituted by 1-3 methyl groups or by fluorine, form polybismaleimide resins which have valuable physical properties. Uniquely, these compounds permit extended cure times, i.e., they remain fluid for a time sufficient to permit the formation of a homogeneous melt prior to curing.

  5. Magnesium compounds

    USGS Publications Warehouse

    Kramer, D.A.

    2012-01-01

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

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

    NASA Astrophysics Data System (ADS)

    Frankel, Dana J.

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

  7. Magnetic and structural anisotropies in laser ablated epitaxial thin films of full-Heusler alloy Co2MnSi on SrTiO3

    NASA Astrophysics Data System (ADS)

    Pandey, Himanshu; Rout, P. K.; Budhani, R. C.

    2013-03-01

    We present the thickness dependent magnetic properties of laser ablated epitaxial Co2MnSi (CMS)Heusler alloy thin films grown on (001) oriented SrTiO3 substrate. In order to study the intrinsic magnetic anisotropy, a highly ordered single crystal thin film of Heusler alloys is necessary. This provides a unique opportunity to determine the behavior of magnetization reversal, and affect important properties such as the coercive field and remanence. The two important sources of the magnetic anisotropy are the magnetic dipolar interaction and the spin-orbit interaction. The strain in films due to the lattice mismatch with the substrate affects the shape anisotropy while spin-orbit coupling changes magneto-crystalline anisotropy. We have observed an in-plane biaxial compressive strain in the films which relaxes with increasing film thickness. Although the hysteresis loops show an in-plane easy axis for all films, the single-domain phase diagram reveals a gradual transition from in-plane to out-of-plane transition of magnetization as the film thickness is decreased. The magnetization starts to cant as film thickness start to decrease and we found a canting angle of ~ 31.8° with respect to the film plane for our thinnest 5 nm CMS films. We acknowledge support from DIT, DST, CSIR and IIT Kanpur.

  8. Direct observation of the electronic structure in thermoelectric half-Heusler alloys Zr1-xMxNiSn (M = Y and Nb)

    NASA Astrophysics Data System (ADS)

    Hattori, Kengo; Miyazaki, Hidetoshi; Yoshida, Kento; Inukai, Manabu; Nishino, Yoichi

    2015-05-01

    This study investigates the electronic and local crystal structures of the hole-doped Zr1-xYxNiSn and electron-doped Zr1-xNbxNiSn alloys using synchrotron radiation photoemission spectroscopy (SR-PES) and synchrotron radiation X-ray powder diffraction (SR-XRD) measurements, thereby clarifying the mechanisms underlying the thermoelectric performance of the p- and n-type alloys. SR-XRD analysis reveals an interstitial Ni disorder in the half-Heusler structure and the substitution of the dopant Y and Nb atoms at the Zr site. SR-PES result shows that the variation in the electronic structure of the alloys due to doping can be explained on the basis of the rigid band model. The asymmetric pseudo-gap near the Fermi level, which is rather unexpected from the band structure calculation because of the presence of the interstitial Ni disorder, could possibly be the reason underlying poor thermoelectric performance of p-type half-Heusler ZrNiSn alloys when compared with the n-type counterparts.

  9. Two successive magneto-structural transformations and their relation to enhanced magnetocaloric effect for Ni55.8Mn18.1Ga26.1 Heusler alloy.

    PubMed

    Li, Zhe; Xu, Kun; Zhang, Yuanlei; Tao, Chang; Zheng, Dong; Jing, Chao

    2015-01-01

    In the present work, two successive magneto-structural transformations (MSTs) consisting of martensitic and intermartensitic transitions have been observed in polycrystalline Ni55.8Mn18.1Ga26.1 Heusler alloy. Benefiting from the additional latent heat contributed from intermediate phase, this alloy exhibits a large transition entropy change ΔStr with the value of ~27 J/kg K. Moreover, the magnetocaloric effect (MCE) has been also evaluated in terms of Maxwell relation. For a magnetic field change of 30 kOe, it was found that the calculated value of refrigeration capacity in Ni55.8Mn18.1Ga26.1 attains to ~72 J/kg around room temperature, which significantly surpasses those obtained for many Ni-Mn based Heusler alloys in the same condition. Such an enhanced MCE can be ascribed to the fact that the isothermal entropy change ΔST is spread over a relatively wide temperature interval owing to existence of two successive MSTs for studied sample.

  10. A low-temperature fabricated gate-stack structure for Ge-based MOSFET with ferromagnetic epitaxial Heusler-alloy/Ge electrodes

    NASA Astrophysics Data System (ADS)

    Fujita, Yuichi; Yamada, Michihiro; Nagatomi, Yuta; Yamamoto, Keisuke; Yamada, Shinya; Sawano, Kentarou; Kanashima, Takeshi; Nakashima, Hiroshi; Hamaya, Kohei

    2016-06-01

    A possible low-temperature fabrication process of a gate-stack for Ge-based spin metal-oxide-semiconductor field-effect transistor (MOSFET) is investigated. First, since we use epitaxial ferromagnetic Heusler alloys on top of the phosphorous doped Ge epilayer as spin injector and detector, we need a dry etching process to form Heusler-alloy/n+-Ge Schottky-tunnel contacts. Next, to remove the Ge epilayers damaged by the dry etching process, the fabricated structures are dipped in a 0.03% diluted H2O2 solution. Finally, Al/SiO2/GeO2/Ge gate-stack structures are fabricated at 300 °C as a top gate-stack structure. As a result, the currents in the Ge-MOSFET fabricated here can be modulated by applying gate voltages even by using the low-temperature formed gate-stack structures. This low-temperature fabrication process can be utilized for operating Ge spin MOSFETs with a top gate electrode.

  11. Epitaxial growth of CoxMnySiz (111) thin films in the compositional range around the Heusler alloy Co2MnSi

    SciTech Connect

    He, L.; Chu, Y.; Collins, B. A. and Tsui, F.

    2011-03-18

    Epitaxial growth and structural properties of Co{sub x}Mn{sub y}Si{sub z} thin films on Ge (111) substrates, including the Heusler alloy Co{sub 2}MnSi (111), have been studied using combinatorial molecular beam epitaxy (MBE) techniques. In situ reflection high energy electron diffraction and ex situ x-ray diffraction experiments show that high quality coherent MBE growth with fcc (111) stacking can be achieved over a relatively large composition space that includes Co{sub 2}MnSi. The highest structural and chemical ordering is observed near the composition of Co{sub 0.63}Mn{sub 0.14}Si{sub 0.23} rather than that at the Heusler stoichiometry of Co{sub 2}MnSi. The in-plane crystallographic axis of the fcc film exhibits a 60{sup o} rotation with respect to that of the Ge substrate. The rotation appears to be originated at the film-substrate interface, as a result of the symmetry and stacking of the Ge (111) surface reconstruction.

  12. Structural and magnetic properties of epitaxial Heusler alloy Fe{sub 2}Cr{sub 0.5}Co{sub 0.5}Si

    SciTech Connect

    Wang, Yu-Pu; Han, Gu-Chang; Qiu, Jinjun; Yap, Qi-Jia; Lu, Hui; Teo, Kie-Leong

    2014-05-07

    This paper reports the study of structural and magnetic properties of Heusler alloy Fe{sub 2}Cr{sub 0.5}Co{sub 0.5}Si (FCCS) thin film and its tunnel magnetoresistance (TMR) effect. The smooth quaternary Heusler alloy FCCS film with surface roughness of rms value of 0.25 nm measured by atomic force microscopy and partial L2{sub 1} phase was obtained by magnetron sputtering at room temperature followed by in-situ annealing at 400 °C. The saturation magnetization and coercivity of FCCS are 410 emu/cm{sup 3} and 20 Oe, respectively. The magnetic tunnel junctions (MTJs) using FCCS as free layer were studied in detail as a function of post-annealing temperature. A TMR ratio of 15.6% has been achieved with 300 °C post-annealing. This is about twice the highest TMR ratio obtained in MTJs using Fe{sub 2}CrSi. The enhancement of TMR ratio can be attributed to the successful tuning of the Fermi level of Fe{sub 2}CrSi close to the center of the minority band gap by Co-doping.

  13. Current-perpendicular-to-plane giant magnetoresistance using Co{sub 2}Fe(Ga{sub 1-x}Ge{sub x}) Heusler alloy

    SciTech Connect

    Goripati, H. S.; Furubayashi, T.; Takahashi, Y. K.; Hono, K.

    2013-01-28

    We investigated the current-perpendicular-to-plane giant magnetoresistance (CPP-GMR) of pseudo spin valves (PSVs) using ferromagnetic (FM) Heusler alloy Co{sub 2}Fe(Ga{sub 1-x}Ge{sub x}) (x = 0, 0.5, and 1) layers and an Ag spacer layer. The FM layer with x = 0.5 gave rise to the highest MR output, {Delta}RA = 8.7 m{Omega}{center_dot}{mu}m{sup 2}, at room temperature with 10 nm thick Heusler alloy layers. The MR output increased with increasing annealing temperature, T{sub a}, with a maximum at T{sub a} = 500 Degree-Sign C. Transmission electron microscopy showed no visible changes in the layered structure; however, energy dispersive x-ray analysis indicated a considerable diffusion of Ga and Ge into the other layers by annealing at T{sub a} = 550 Degree-Sign C. The {Delta}RA dependence on the thickness of the FM layers indicated that both high bulk and interface spin asymmetries contribute to the high MR output.

  14. Effect of an interface Mg insertion layer on the reliability of a magnetic tunnel junction based on a Co2FeAl full-Heusler alloy

    NASA Astrophysics Data System (ADS)

    Lee, Jung-Min; Kil, Gyu Hyun; Lee, Gae Hun; Choi, Chul Min; Song, Yun-Heub; Sukegawa, Hiroaki; Mitani, Seiji

    2014-04-01

    The reliability of a magnetic tunnel junction (MTJ) based on a Co2FeAl (CFA) full-Heusler alloy with a MgO tunnel barrier was evaluated. In particular, the effect of a Mg insertion layer under the MgO was investigated in view of resistance drift by using various voltage stress tests. We compared the resistance change during constant voltage stress (CVS) and confirmed a trap/detrap phenomenon during the interval stress test for samples with and without a Mg insertion layer. The MTJ with a Mg insertion layer showed a relatively small resistance change for the CVS test and a reduced trap/detrap phenomenon for the interval stress test compared to the sample without a Mg insertion layer. This is understood to be caused by the improved crystallinity at the bottom of the CFA/MgO interface due to the Mg insertion layer, which provides a smaller number of trap site during the stress test. As a result, the interface condition of the MgO layer is very important for the reliability of a MTJ using a full-Heusler alloy, and the the insert of a Mg layer at the MgO interface is expected to be an effective method for enhancing the reliability of a MTJ.

  15. Two successive magneto-structural transformations and their relation to enhanced magnetocaloric effect for Ni55.8Mn18.1Ga26.1 Heusler alloy

    PubMed Central

    Li, Zhe; Xu, Kun; Zhang, Yuanlei; Tao, Chang; Zheng, Dong; Jing, Chao

    2015-01-01

    In the present work, two successive magneto-structural transformations (MSTs) consisting of martensitic and intermartensitic transitions have been observed in polycrystalline Ni55.8Mn18.1Ga26.1 Heusler alloy. Benefiting from the additional latent heat contributed from intermediate phase, this alloy exhibits a large transition entropy change ΔStr with the value of ~27 J/kg K. Moreover, the magnetocaloric effect (MCE) has been also evaluated in terms of Maxwell relation. For a magnetic field change of 30 kOe, it was found that the calculated value of refrigeration capacity in Ni55.8Mn18.1Ga26.1 attains to ~72 J/kg around room temperature, which significantly surpasses those obtained for many Ni-Mn based Heusler alloys in the same condition. Such an enhanced MCE can be ascribed to the fact that the isothermal entropy change ΔST is spread over a relatively wide temperature interval owing to existence of two successive MSTs for studied sample. PMID:26450663

  16. Tunable ferromagnetic and antiferromagnetic interfacial exchange coupling in perpendicularly magnetized L1{sub 0}-MnGa/Co{sub 2}FeAl Heusler bilayers

    SciTech Connect

    Ma, Q. L. Mizukami, S.; Zhang, X. M.; Miyazaki, T.

    2014-12-21

    In this work, we report a tailorable exchange coupling (J{sub ex}) at the Mn{sub 62}Ga{sub 38}/Co{sub 2}FeAl interface, where Mn{sub 62}Ga{sub 38} and Co{sub 2}FeAl alloys are tetragonal Heusler alloy with high perpendicular magnetic anisotropy and typical cubic Heusler alloy with soft magnetism, respectively. As the post annealing temperature (T{sub a}) is lower than 375 °C, the J{sub ex} is ferromagnetic with strength controllable from 7.5 to 0.5 erg/cm{sup 2}. Interestingly, as T{sub a} increases higher than 400 °C, an antiferromagnetic J{sub ex} of −5.5 erg/cm{sup 2} is observed. The ferromagnetic/antiferromagnetic transition is further evidenced by the spin dependent transport property of the magnetic tunnel junctions with Mn{sub 62}Ga{sub 38}/Co{sub 2}FeAl as electrode. Based on structure characterization, the variation of J{sub ex} during annealing is discussed.

  17. A low-temperature fabricated gate-stack structure for Ge-based MOSFET with ferromagnetic epitaxial Heusler-alloy/Ge electrodes

    NASA Astrophysics Data System (ADS)

    Fujita, Yuichi; Yamada, Michihiro; Nagatomi, Yuta; Yamamoto, Keisuke; Yamada, Shinya; Sawano, Kentarou; Kanashima, Takeshi; Nakashima, Hiroshi; Hamaya, Kohei

    2016-06-01

    A possible low-temperature fabrication process of a gate-stack for Ge-based spin metal–oxide–semiconductor field-effect transistor (MOSFET) is investigated. First, since we use epitaxial ferromagnetic Heusler alloys on top of the phosphorous doped Ge epilayer as spin injector and detector, we need a dry etching process to form Heusler-alloy/n+-Ge Schottky-tunnel contacts. Next, to remove the Ge epilayers damaged by the dry etching process, the fabricated structures are dipped in a 0.03% diluted H2O2 solution. Finally, Al/SiO2/GeO2/Ge gate-stack structures are fabricated at 300 °C as a top gate-stack structure. As a result, the currents in the Ge-MOSFET fabricated here can be modulated by applying gate voltages even by using the low-temperature formed gate-stack structures. This low-temperature fabrication process can be utilized for operating Ge spin MOSFETs with a top gate electrode.

  18. Study of effect of copper-substitution at Ga site in some Ga-based Heusler alloys from first-principles calculations

    NASA Astrophysics Data System (ADS)

    Roy, Tufan; Chakrabarti, Aparna

    2015-06-01

    In this work we have predicted the mechanical and magnetic properties of cubic austenite phase of the Cu substituted alloys of Ni2MnGa and Mn2NiGa at the Ga site i.e. Ni2MnCu and Mn2NiCu, respectively, as well as of Pt2MnCu and Pd2MnCu. We have observed that the conventional Heusler structure is lower in energy compared to the inverse Heusler structure for the Ni2MnGa, Pt2MnGa and Pd2MnGa and the Cu-substituted materials, whereas Mn2NiGa and its Cu-substituted alloy at Ga site assume the inverse structure. From the calculated elastic constants, we find that Pt2MnCu is expected to be the most ductile material among all the substituted materials studied here. We have calculated and compared the Curie temperatures derived from the Heisenberg exchange coupling parameters.

  19. TiNiSn: A gateway to the (1,1,1) intermetallic compounds

    SciTech Connect

    Cook, B.A.; Harringa, J.L.; Tan, Z.S.; Jesser, W.A.

    1996-06-01

    Recent awareness of the transport properties of Skutterudite pnictides has stimulated an interest in numerous other intermetallic compounds having a gap in the density of states at the Fermi level including the MNiSn compounds where M = (Ti, Zr, Hf). These intermetallic half-Heusler compounds are characterized by high Seebeck coefficients ({minus}150 to {minus}300 {micro}V/deg.) and reasonable carrier mobilities (30 to 50 cm{sup 2}/V-s) at room temperature which make them attractive candidates for intermediate temperature thermoelectric applications. Samples of TiNiSn were prepared by arc melting and homogenized by heat treatment. The temperature dependence of the electrical resistivity, Seebeck coefficient, and thermal diffusivity of these samples was characterized between 22 C and 900 C. The electrical resistivity and thermopower both decrease with temperature although the resistivity decreases at a faster rate. Electrical power factors in excess of 25 {micro}W/cm-C{sup 2} were observed in nearly single phase alloys within a 300 to 600 C temperature range. A brief survey of other selected ternary intermetallic compounds is also presented.

  20. The ``Missing Compounds'' affair in functionality-driven material discovery

    NASA Astrophysics Data System (ADS)

    Zunger, Alex

    2014-03-01

    as (b) Use of ``first principles thermodynamics'' to discern which of the previously ``missing compounds'' should, in fact exist and in which structure. Synthesis efforts by Poeppelmeier group at NU realized 20 never-before-made half-Heusler compounds out of the 20 predicted ones, in our predicted space groups. This type of theory-led experimental search of designed materials with target functionalities may shorten the current process of discovery of interesting functional materials. Supported by DOE ,Office of Science, Energy Frontier Research Center for Inverse Design

  1. Antiferromagnetism and superconductivity in the half-Heusler semimetal HoPdBi.

    PubMed

    Pavlosiuk, Orest; Kaczorowski, Dariusz; Fabreges, Xavier; Gukasov, Arsen; Wiśniewski, Piotr

    2016-01-05

    We observed the coexistence of superconductivity and antiferromagnetic order in the single-crystalline ternary pnictide HoPdBi, a plausible topological semimetal. The compound orders antiferromagnetically at TN = 1.9 K and exhibits superconductivity below Tc = 0.7 K, which was confirmed by magnetic, electrical transport and specific heat measurements. The specific heat shows anomalies corresponding to antiferromagnetic ordering transition and crystalline field effect, but not to superconducting transition. Single-crystal neutron diffraction indicates that the antiferromagnetic structure is characterized by the propagation vector. Temperature variation of the electrical resistivity reveals two parallel conducting channels of semiconducting and metallic character. In weak magnetic fields, the magnetoresistance exhibits weak antilocalization effect, while in strong fields and temperatures below 50 K it is large and negative. At temperatures below 7 K Shubnikov-de Haas oscillations with two frequencies appear in the resistivity. These oscillations have non-trivial Berry phase, which is a distinguished feature of Dirac fermions.

  2. A p-type Heusler compound: Growth, structure, and properties of epitaxial thin NiYBi films on MgO(100)

    SciTech Connect

    Shan Rong; Ouardi, Siham; Fecher, Gerhard H.; ViolBarbosa, Carlos E.; Felser, Claudia; Gao Li; Kellock, Andrew; Parkin, Stuart S. P.; Gloskovskii, Andrei; Ikenaga, Eiji

    2012-11-19

    Epitaxial semiconducting NiYBi thin films were directly prepared on MgO(100) substrates by magnetron sputtering. The intensity ratio of the (200) and (400) diffraction peaks, I(200)/I(400) = 2.93, was close to the theoretical value (3.03). The electronic structure of NiYBi was calculated using wien2k, and a narrow indirect band gap of width of 210 meV was found. The valence band spectra of the films obtained by linear dichroism in hard x-ray photoelectron spectroscopy exhibit clear structures that are in good agreement with the calculated band structure of NiYBi.

  3. Low-temperature grown quaternary Heusler-compound Co{sub 2}Mn{sub 1-x}Fe{sub x}Si films on Ge(111)

    SciTech Connect

    Yamada, S.; Murakami, T.; Hamaya, K.; Varaprasad, B.; Rajanikanth, A.; Hono, K.; Takahashi, Y. K.; Miyao, M.

    2011-04-01

    Highly ordered quaternary Co{sub 2}Mn{sub 1-x}Fe{sub x}Si films on Ge(111) are explored for spintronic device applications on Si-large-scale integrated circuit (LSI) platform. By using low-temperature molecular beam epitaxy techniques, relatively large magnetic moments are demonstrated for x between 0.50 and 1.0 despite extremely low temperature growth of 130 deg. C. Also, L2{sub 1}-ordered crystal structures can be realized even on a group-IV semiconductor substrate, Ge, compatible with Si-LSI technologies. By the point contact Andreev reflection method, the spin polarization of Co{sub 2}Mn{sub 0.5}Fe{sub 0.5}Si films is estimated to be P= 0.58 {+-} 0.02. We believe that this study will be a first step for integration of high-performance spintronic applications with next ultra LSI.

  4. Antiferromagnetism and superconductivity in the half-Heusler semimetal HoPdBi

    PubMed Central

    Pavlosiuk, Orest; Kaczorowski, Dariusz; Fabreges, Xavier; Gukasov, Arsen; Wiśniewski, Piotr

    2016-01-01

    We observed the coexistence of superconductivity and antiferromagnetic order in the single-crystalline ternary pnictide HoPdBi, a plausible topological semimetal. The compound orders antiferromagnetically at TN = 1.9 K and exhibits superconductivity below Tc = 0.7 K, which was confirmed by magnetic, electrical transport and specific heat measurements. The specific heat shows anomalies corresponding to antiferromagnetic ordering transition and crystalline field effect, but not to superconducting transition. Single-crystal neutron diffraction indicates that the antiferromagnetic structure is characterized by the propagation vector. Temperature variation of the electrical resistivity reveals two parallel conducting channels of semiconducting and metallic character. In weak magnetic fields, the magnetoresistance exhibits weak antilocalization effect, while in strong fields and temperatures below 50 K it is large and negative. At temperatures below 7 K Shubnikov-de Haas oscillations with two frequencies appear in the resistivity. These oscillations have non-trivial Berry phase, which is a distinguished feature of Dirac fermions. PMID:26728755

  5. A less expensive NiMnGa based Heusler alloy for magnetic refrigeration

    NASA Astrophysics Data System (ADS)

    Mejía, C. Salazar; Gomes, A. M.; de Oliveira, L. A. S.

    2012-04-01

    We present a study of the substitution of Mn by Cu on the compound Ni2 Mn1-x Cux Ga0.9 Al0.1, showing that the substitution of a small amount of Al on the Ga site does not affect the magnetic and magnetocaloric potential compared to Ni2(Mn,Cu)Ga alloy. The samples were prepared with 10% substitution of Al and with Cu concentrations of x = 0.0, 0.2, and 0.3. Magnetization measurements as a function of temperature performed from 10 to 400 K, with an applied field of 0.02 T showed a ferromagnetic state, with critical temperature Tc = 295 and 300 K for the samples with Cu, x = 0.2 and 0.3, respectively. For the sample without Cu, a complex behavior is observed at Tc = 370 K, with martensitic transition at 220 K and a premartensitic at 250 K. Analysis of x-rays diffractograms at room temperature show a L 21 structure for x = 0.0, while for x = 0.2 a mixture of L 21 and martensitic is present, and the sample with x = 0.3 it is in a fully martensitic phase. Heat capacity measurements were performed in order to calculate magnetocaloric effect in the samples. The results indicate that in Ni(Mn,Cu)Ga alloys, a partial substitution of Ga by Al still produce a high refrigerant capacity while reducing the costs of fabrication.

  6. Magnetic, thermal, and electrical properties of an Ni45.37Mn40.91In13.72 Heusler alloy

    NASA Astrophysics Data System (ADS)

    Batdalov, A. B.; Aliev, A. M.; Khanov, L. N.; Buchel'nikov, V. D.; Sokolovskii, V. V.; Koledov, V. V.; Shavrov, V. G.; Mashirov, A. V.; Dil'mieva, E. T.

    2016-05-01

    The magnetization, the electrical resistivity, the specific heat, the thermal conductivity, and the thermal diffusion of a polycrystalline Heusler alloy Ni45.37Mn40.91In13.72 sample are studied. Anomalies, which are related to the coexistence of martensite and austenite phases and the change in their ratio induced by a magnetic field and temperature, are revealed and interpreted. The behavior of the properties of the alloy near Curie temperature T C also demonstrates signs of a structural transition, which suggests that the detected transition is a first-order magnetostructural phase transition. The nontrivial behavior of specific heat detected near the martensite transformation temperatures is partly related to a change in the electron density of states near the Fermi level. The peculiar peak of phonon thermal conductivity near the martensitic transformation is interpreted as a consequence of the appearance of additional soft phonon modes, which contribute to the specific heat and the thermal conductivity.

  7. Unveiling the Mechanism for the Split Hysteresis Loop in Epitaxial Co2Fe1-xMnxAl Full-Heusler Alloy Films.

    PubMed

    Tao, X D; Wang, H L; Miao, B F; Sun, L; You, B; Wu, D; Zhang, W; Oepen, H P; Zhao, J H; Ding, H F

    2016-01-01

    Utilizing epitaxial Co2Fe1-xMnxAl full-Heusler alloy films on GaAs (001), we address the controversy over the analysis for the split hysteresis loop which is commonly found in systems consisting of both uniaxial and fourfold anisotropies. Quantitative comparisons are carried out on the values of the twofold and fourfold anisotropy fields obtained with ferromagnetic resonance and vibrating sample magnetometer measurements. The most suitable model for describing the split hysteresis loop is identified. In combination with the component resolved magnetization measurements, these results provide compelling evidences that the switching is caused by the domain wall nucleation and movements with the switching fields centered at the point where the energy landscape shows equal minima for magnetization orienting near the easy axis and the field supported hard axis.

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

    SciTech Connect

    Sharma, Jyoti; Suresh, K. G.

    2015-02-16

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

  9. Giant spontaneous exchange bias triggered by crossover of superspin glass in Sb-doped Ni50Mn38Ga12 Heusler alloys.

    PubMed

    Tian, Fanghua; Cao, Kaiyan; Zhang, Yin; Zeng, Yuyang; Zhang, Rui; Chang, Tieyan; Zhou, Chao; Xu, Minwei; Song, Xiaoping; Yang, Sen

    2016-01-01

    A spontaneous exchange bias (SEB) discovered by Wang et al. [Phys. Rev. Lett. 106 (2011) 077203.] after zero-field cooling (ZFC) has attracted recent attention due to its interesting physics. In this letter, we report a giant SEB tuned by Sb-doping in Ni50Mn38Ga12-xSbx Heusler alloys. Such an SEB was switched on below the blocking temperature of approximately 50 K. The maximum exchange bias HE can arrive at 2930 Oe in a Ni50Mn38Ga10Sb2 sample after ZFC to 2 K. Further studies showed that this SEB was attributable to interaction of superspin glass (SSG) and antiferromagnetic matix, which was triggered by the crossover of SSG from canonical spin glass to a cluster spin glass. Our results not only explain the underlying physics of SEB, but also provide a way to tune and control the SEB performance.

  10. Correlation between reentrant spin glass behavior and the magnetic order-disorder transition of the martensite phase in Ni-Co-Mn-Sb Heusler alloys.

    PubMed

    Nayak, Ajaya K; Suresh, K G; Nigam, A K

    2011-10-19

    We have performed ac susceptibility and dc magnetization measurements in Ni(50-x)Co(x)Mn(38)Sb(12) Heusler alloys. From the ac susceptibility measurements, the existence of reentrant spin glass (RSG) state is observed for x=0-5. It is found that the signature of RSG behavior diminishes with increase in x. This behavior is in contrast to the fact that the exchange bias field increases with x, which reveals that the origins of RSG and exchange bias are different in the present system. It is found that the system enters a frustrated ferromagnetic state just below the Curie temperature of the martensite phase (T(M)(C)) and then the RSG state at low temperature. The strength of the RSG state is critically dependent on the sharpness of the magnetic transition at (T(M)(C)). This proposition is further supported by the thermo-remanent magnetization and low field thermomagnetic measurements.

  11. Miscibility Gap in the Phase Diagrams of Thermoelectric Half-Heusler Materials CoTi_{1-x}Y_xSb ( Y = Sc, V, Mn, Fe)

    NASA Astrophysics Data System (ADS)

    Mena, Joaquin Miranda; Rausch, Elisabeth; Ouardi, Siham; Gruhn, Thomas; Fecher, Gerhard H.; Schoberth, Heiko G.; Emmerich, Heike; Felser, Claudia

    2016-03-01

    The half-Heusler system CoTi{_{1-x}Y_x}Sb ( Y = Sc, V, Mn, Fe) has been investigated by means of an ab initio-based mean-field model which provides phase diagrams of alloys. Co(Ti, Y)Sb materials show a miscibility gap, which leads to spontaneous demixing within a spinodal region. The results are compared with experimental investigations of microstructure and transport properties of the alloys. The thermoelectric properties of the solid solution were investigated comprehensively by measuring the temperature dependence of the Seebeck coefficient as well as electrical and thermal conductivity. Compared with pure CoTiSb, the thermal conductivity of substituted CoTi{_{0.9}Y_{0.1}}Sb was significantly reduced by approximately 53% for Y = V. Here, we report on the effect of phase separation in the Co(Ti, Y)Sb system and its consequences for the thermoelectric figure or merit.

  12. Large magnetoresistance in Heusler-alloy-based epitaxial magnetic junctions with semiconducting Cu(In0.8Ga0.2)Se2 spacer

    NASA Astrophysics Data System (ADS)

    Kasai, S.; Takahashi, Y. K.; Cheng, P.-H.; Ikhtiar, Ohkubo, T.; Kondou, K.; Otani, Y.; Mitani, S.; Hono, K.

    2016-07-01

    We investigated the structure and magneto-transport properties of magnetic junctions using a Co2Fe(Ga0.5Ge0.5) Heusler alloy as ferromagnetic electrodes and a Cu(In0.8Ga0.2)Se2 (CIGS) semiconductor as spacers. Owing to the semiconducting nature of the CIGS spacer, large magnetoresistance (MR) ratios of 40% at room temperature and 100% at 8 K were obtained for low resistance-area product (RA) values between 0.3 and 3 Ω μm2. Transmission electron microscopy observations confirmed the fully epitaxial growth of the chalcopyrite CIGS layer, and the temperature dependence of RA indicated that the large MR was due to spin dependent tunneling.

  13. Effect of substitution of Co with Fe on the structural, electronic and magnetic properties of Heusler alloy Co2CrAl

    NASA Astrophysics Data System (ADS)

    Nehra, Jagdish; Lakshmi, N.; Venugopalan, K.

    2015-02-01

    We investigate the effect of the substitution of Co with Fe on the structural, electronic and magnetic properties of a series of quaternary Co2-xFexCrAl Heusler alloys. The alloy orders in the B2 structure for composition of x≥0.4. The half metallicity in the parent Co2CrAl is retained in the whole series of alloys on partial substitution of Co with Fe atoms. DC magnetization studies evidence a linear increase in saturation magnetization and Curie temperature increase in Fe content. Mössbauer spectra show that along the series the average hyperfine field and combined relative area under the curve of sextets increase linearly with increase in Fe content corroborating results obtained from DC magnetization studies.

  14. Optimization of exchange bias in Co{sub 2}FeAl{sub 0.5}Si{sub 0.5} Heusler alloy layers

    SciTech Connect

    Hirohata, Atsufumi; Izumida, Keisuke; Ishizawa, Satoshi; Nakayama, Tadachika; Sagar, James

    2014-05-07

    We have fabricated and investigated IrMn{sub 3}/Co{sub 2}FeAl{sub 0.5}Si{sub 0.5} stacks to meet the criteria for future spintronic device applications which requires low-temperature crystallisation (<250 °C) and a large exchange bias H{sub ex} (>500 Oe). Such a system would form the pinned layer in spin-valve or tunnel junction applications. We have demonstrated that annealing at 300 °C which can achieve crystalline ordering in the Co{sub 2}FeAl{sub 0.5}Si{sub 0.5} layer giving ∼80% of the predicted saturation magnetisation. We have also induced an exchange bias of ∼240 Oe at the interface. These values are close to the above criteria and confirm the potential of using antiferromagnet/Heusler-alloy stacks in current Si-based processes.

  15. Giant spontaneous exchange bias triggered by crossover of superspin glass in Sb-doped Ni50Mn38Ga12 Heusler alloys.

    PubMed

    Tian, Fanghua; Cao, Kaiyan; Zhang, Yin; Zeng, Yuyang; Zhang, Rui; Chang, Tieyan; Zhou, Chao; Xu, Minwei; Song, Xiaoping; Yang, Sen

    2016-01-01

    A spontaneous exchange bias (SEB) discovered by Wang et al. [Phys. Rev. Lett. 106 (2011) 077203.] after zero-field cooling (ZFC) has attracted recent attention due to its interesting physics. In this letter, we report a giant SEB tuned by Sb-doping in Ni50Mn38Ga12-xSbx Heusler alloys. Such an SEB was switched on below the blocking temperature of approximately 50 K. The maximum exchange bias HE can arrive at 2930 Oe in a Ni50Mn38Ga10Sb2 sample after ZFC to 2 K. Further studies showed that this SEB was attributable to interaction of superspin glass (SSG) and antiferromagnetic matix, which was triggered by the crossover of SSG from canonical spin glass to a cluster spin glass. Our results not only explain the underlying physics of SEB, but also provide a way to tune and control the SEB performance. PMID:27478090

  16. Giant spontaneous exchange bias triggered by crossover of superspin glass in Sb-doped Ni50Mn38Ga12 Heusler alloys

    PubMed Central

    Tian, Fanghua; Cao, Kaiyan; Zhang, Yin; Zeng, Yuyang; Zhang, Rui; Chang, Tieyan; Zhou, Chao; Xu, Minwei; Song, Xiaoping; Yang, Sen

    2016-01-01

    A spontaneous exchange bias (SEB) discovered by Wang et al. [Phys. Rev. Lett. 106 (2011) 077203.] after zero-field cooling (ZFC) has attracted recent attention due to its interesting physics. In this letter, we report a giant SEB tuned by Sb-doping in Ni50Mn38Ga12-xSbx Heusler alloys. Such an SEB was switched on below the blocking temperature of approximately 50 K. The maximum exchange bias HE can arrive at 2930 Oe in a Ni50Mn38Ga10Sb2 sample after ZFC to 2 K. Further studies showed that this SEB was attributable to interaction of superspin glass (SSG) and antiferromagnetic matix, which was triggered by the crossover of SSG from canonical spin glass to a cluster spin glass. Our results not only explain the underlying physics of SEB, but also provide a way to tune and control the SEB performance. PMID:27478090

  17. Thermal stability and atomic ordering of epitaxial Heusler alloy Co{sub 2}FeSi films grown on GaAs(001)

    SciTech Connect

    Hashimoto, M.; Herfort, J.; Schoenherr, H.-P.; Ploog, K.H.

    2005-11-15

    The thermal stability and the atomic ordering of single-crystal Heusler alloy Co{sub 2}FeSi layers grown by molecular beam epitaxy on GaAs(001) have been studied. We found that the Co{sub 2}FeSi layers have a long-range atomic order and crystallize in a partly disordered L2{sub 1} structure in the low growth temperature (T{sub G}) regime. The long-range atomic order of the layers is further improved with increasing T{sub G} up to 350 deg. C. However, the increase of T{sub G} induces an interfacial reaction between the Co{sub 2}FeSi layer and the GaAs substrate. The analysis of the in-plane magnetic anisotropy reveals that the interface perfection is improved up to T{sub G}=200 deg. C and deteriorated due to an interfacial reaction above 200 deg. C.

  18. Hysteresis and magnetocaloric effect at the magnetostructural phase transition of Ni-Mn-Ga and Ni-Mn-Co-Sn Heusler alloys

    NASA Astrophysics Data System (ADS)

    Basso, Vittorio; Sasso, Carlo P.; Skokov, Konstantin P.; Gutfleisch, Oliver; Khovaylo, Vladimir V.

    2012-01-01

    Hysteresis features of the direct and inverse magnetocaloric effect associated with first-order magnetostructural phase transitions in Ni-Mn-X (X = Ga, Sn) Heusler alloys have been disclosed by differential calorimetry measurements performed either under a constant magnetic field, H, or by varying H in isothermal conditions. We have shown that the magnetocaloric effect in these alloys crucially depends on the employed measuring protocol. Experimentally observed peculiarities of the magnetocaloric effect have been explained in the framework of a model that accounts for different contributions to the Gibbs energy of austenitic gA and martensitic gM phases. Obtained experimental results have been summarized by plotting a phase fraction of the austenite xA versus the driving force gM-gA. The developed approach allows one to predict reversible and irreversible features of the direct as well as inverse magnetocaloric effect in a variety of materials with first-order magnetic phase transitions.

  19. Optical properties of heusler alloys Co2FeSi, Co2FeAl, Co2CrAl, and Co2CrGa

    NASA Astrophysics Data System (ADS)

    Shreder, E. I.; Svyazhin, A. D.; Belozerova, K. A.

    2013-11-01

    The results of an investigation of optical properties and the calculations of the electronic structure of Co2FeSi, Co2FeAl, Co2CrAl, and Co2CrGa Heusler alloys are presented. The main focus of our attention is the study of the spectral dependence of the real part (ɛ1) and imaginary part (ɛ2) of the dielectric constant in the range of wavelengths λ = 0.3-13 μm using the ellipsometric method. An anomalous behavior of the optical conductivity σ(ω) has been found in the infrared range in the Co2CrAl and Co2CrGa alloys, which differs substantially from that in the Co2FeSi and Co2FeAl alloys. The results obtained are discussed based on the calculations of the electronic structure.

  20. Lattice-matched magnetic tunnel junctions using a Heusler alloy Co2FeAl and a cation-disorder spinel Mg-Al-O barrier

    NASA Astrophysics Data System (ADS)

    Scheike, Thomas; Sukegawa, Hiroaki; Furubayashi, Takao; Wen, Zhenchao; Inomata, Koichiro; Ohkubo, Tadakatsu; Hono, Kazuhiro; Mitani, Seiji

    2014-12-01

    Perfectly lattice-matched magnetic tunnel junctions (MTJs) consisting of a Heusler alloy B2-Co2FeAl (CFA) electrode and a cation-disorder spinel (Mg-Al-O) barrier were fabricated by sputtering and plasma oxidation. We achieved a large tunnel magnetoresistance (TMR) ratio of 228% at room temperature (RT) (398% at 5 K) for the epitaxial CFA/MgAl-O/CoFe(001) MTJ, in which the effect of lattice defects on TMR ratios is excluded. With inserting a ultrathin (≤1.5 nm) CoFe layer between the CFA and Mg-Al-O, the TMR ratio further increased up to 280% at RT (453% at 5 K), which reflected the importance of controlling barrier-electrode interface states other than the lattice matching.

  1. Magnetization Dynamics Through Magnetoimpedance Effect in Isotropic Co2FeAl/Au/Co2FeAl Full-Heusler Alloy Trilayer Films

    NASA Astrophysics Data System (ADS)

    Assolin Corrêa, Marcio; Montardo Escobar, Vivian; Trigueiro-Neto, Osvaldo; Bohn, Felipe; Daiane Sossmeier, Kelly; Gomes Bezerra, Claudionor; Chesman, Carlos; Pearson, John; Hoffmann, Axel

    2013-09-01

    We investigate the magnetization dynamics in low damping parameter α systems by measuring the magnetoimpedance effect over a wide range of frequencies, from 0.1 to 3.0 GHz, in Co2FeAl/Au/Co2FeAl full-Heusler alloy trilayer films grown by magnetron sputtering on glass and MgO substrates. We show that the film produced on the glass substrate presents high magnetoimpedance performance, while that grown on the MgO substrate has low magnetoimpedance performance. Since both films are polycrystalline and have isotropic in-plane magnetic properties, we interpret the magnetoimpedance results in terms of the low damping parameter α and strain effects in the films. Thus, we verified that our films present good magnetoimpedance performance and showed that high performance can be achieved even in films with isotropic in-plane magnetic properties, since they present low damping parameter α.

  2. Unveiling the Mechanism for the Split Hysteresis Loop in Epitaxial Co2Fe1-xMnxAl Full-Heusler Alloy Films

    PubMed Central

    Tao, X. D.; Wang, H. L.; Miao, B. F.; Sun, L.; You, B.; Wu, D.; Zhang, W.; Oepen, H. P.; Zhao, J. H.; Ding, H. F.

    2016-01-01

    Utilizing epitaxial Co2Fe1-xMnxAl full-Heusler alloy films on GaAs (001), we address the controversy over the analysis for the split hysteresis loop which is commonly found in systems consisting of both uniaxial and fourfold anisotropies. Quantitative comparisons are carried out on the values of the twofold and fourfold anisotropy fields obtained with ferromagnetic resonance and vibrating sample magnetometer measurements. The most suitable model for describing the split hysteresis loop is identified. In combination with the component resolved magnetization measurements, these results provide compelling evidences that the switching is caused by the domain wall nucleation and movements with the switching fields centered at the point where the energy landscape shows equal minima for magnetization orienting near the easy axis and the field supported hard axis. PMID:26733075

  3. Large anisotropic Fe orbital moments in perpendicularly magnetized Co2FeAl Heusler alloy thin films revealed by angular-dependent x-ray magnetic circular dichroism

    NASA Astrophysics Data System (ADS)

    Okabayashi, Jun; Sukegawa, Hiroaki; Wen, Zhenchao; Inomata, Koichiro; Mitani, Seiji

    2013-09-01

    Perpendicular magnetic anisotropy (PMA) in Heusler alloy Co2FeAl thin films sharing an interface with a MgO layer is investigated by angular-dependent x-ray magnetic circular dichroism. Orbital and spin magnetic moments are deduced separately for Fe and Co 3d electrons. In addition, the PMA energies are estimated using the orbital magnetic moments parallel and perpendicular to the film surfaces. We found that PMA in Co2FeAl is determined mainly by the contribution of Fe atoms with large orbital magnetic moments, which are enhanced at the interface between Co2FeAl and MgO. Furthermore, element specific magnetization curves of Fe and Co are found to be similar, suggesting the existence of ferromagnetic coupling between Fe and Co PMA directions.

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

    NASA Astrophysics Data System (ADS)

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

    2013-12-01

    The ultrathin films of Co2FeAl (CFA) full-Heusler alloy were prepared between two Pt layers on MgO single crystals by magnetron sputtering. By controlling the substrate temperature, different growth orientations of the Pt underlayers were realized, and their effects were investigated on the magnetic anisotropy of the ultrathin CFA film. It was revealed that different Pt orientations lead to distinctly different magnetic anisotropy for the sandwiched ultrathin CFA films. The Pt (111) orientation favors the perpendicular anisotropy, while the appearance of partial Pt (001) orientation leads to the quick decrease of perpendicular anisotropy and the complete Pt (001) orientation gives rise to the in-plane anisotropy. With the Pt (111) orientation, the temperature and thickness-induced spin reorientation transitions were investigated in the sandwiched ultrathin CFA films.

  5. Long-range antiferromagnetic interactions in Ni-Co-Mn-Ga metamagnetic Heusler alloys: A two-step ordering studied by neutron diffraction

    NASA Astrophysics Data System (ADS)

    Orlandi, F.; Fabbrici, S.; Albertini, F.; Manuel, P.; Khalyavin, D. D.; Righi, L.

    2016-10-01

    We report on the experimental observation of a long-range antiferromagnetic structure in the metamagnetic Ni-Co-Mn-Ga Heusler alloys. The accurate magnetic symmetry analysis based on experimental neutron diffraction data, exploiting the Shubnikov theory, allows the determination of the correct magnetic space group of the system. A two-step process, featuring the ordering of the Ni and Mn sublattices at different temperatures, leads to the antiferromagnetic structure in martensite. A perfect, constrained by the symmetry, antiferromagnetic ordering of the Ni sublattice in the "paramagnetic gap" is observed, followed by the ordering of the Mn sublattice at lower temperatures. The observation of such antiferromagnetic structure clarifies the current debate on the presence of antiferromagnetic interactions in the (Ni,Co)-Mn-X (X =Ga , Sn, Sb, and In) ferromagnetic shape memory alloys and yields new insights in understanding the magnetostructural properties of this relevant class of materials.

  6. Giant spontaneous exchange bias triggered by crossover of superspin glass in Sb-doped Ni50Mn38Ga12 Heusler alloys

    NASA Astrophysics Data System (ADS)

    Tian, Fanghua; Cao, Kaiyan; Zhang, Yin; Zeng, Yuyang; Zhang, Rui; Chang, Tieyan; Zhou, Chao; Xu, Minwei; Song, Xiaoping; Yang, Sen

    2016-08-01

    A spontaneous exchange bias (SEB) discovered by Wang et al. [Phys. Rev. Lett. 106 (2011) 077203.] after zero-field cooling (ZFC) has attracted recent attention due to its interesting physics. In this letter, we report a giant SEB tuned by Sb-doping in Ni50Mn38Ga12-xSbx Heusler alloys. Such an SEB was switched on below the blocking temperature of approximately 50 K. The maximum exchange bias HE can arrive at 2930 Oe in a Ni50Mn38Ga10Sb2 sample after ZFC to 2 K. Further studies showed that this SEB was attributable to interaction of superspin glass (SSG) and antiferromagnetic matix, which was triggered by the crossover of SSG from canonical spin glass to a cluster spin glass. Our results not only explain the underlying physics of SEB, but also provide a way to tune and control the SEB performance.

  7. Prediction of metallic and half-metallic structure and elastic properties of Fe2 Ti1-x Mnx Al Heusler alloys

    NASA Astrophysics Data System (ADS)

    Adebambo, P. O.; Adetunji, B. I.; Olowofela, J. A.; Oguntuase, J. A.; Adebayo, G. A.

    2016-03-01

    Detailed studies of structural and elastic properties of Fe2 Ti1-x Mnx Al Heusler alloys were carried out using density functional theory within the generalized gradient approximations. In each Heusler alloy, calculations of lattice constants were repeatedly done for successive increases in the lattice constants and the corresponding total energies were recorded. The graphs of the total energy as a function of lattice constant yielded parabolic curves. The present calculations revealed that among the doped alloys, Fe2 TiAl and Fe2 Ti0.75 Mn0.25 Al exhibit transitions of electrons from valence to conduction bands thereby making these alloys metallic. On the other hand, the ternary and quaternary alloys (Fe2 MnAl and Fe2 Ti0.25 Mn0.75 Al respectively) possess half-metallic behavior with direct band gaps of 0.56 eV and 0.41 eV respectively at the Γ-point in the minorities states. To determine the stability of these alloys, the three independent elastic constants in cubic structures (that included C11, C12, and C44 respectively) were obtained for all the compositions that confirmed their stabilities. The structural and elastic properties calculations confirmed the stabilities of Fe2 Ti0.25 Mn0.75 Al and Fe2 MnAl as some new half-metallic materials that can be applicable in spintronic devices. This work revealed the brittleness nature of Fe2 TiAl and Fe2 MnAl alloys.

  8. Probing the possibility of coexistence of martensite transition and half-metallicity in Ni and Co-based full-Heusler alloys: An ab initio calculation

    NASA Astrophysics Data System (ADS)

    Roy, Tufan; Pandey, Dhanshree; Chakrabarti, Aparna

    2016-05-01

    Using first-principles calculations based on density functional theory, we have studied the mechanical, electronic, and magnetic properties of Heusler alloys, namely, Ni2B C and Co2B C (B = Sc, Ti, V, Cr, and Mn as well as Y, Zr, Nb, Mo, and Tc; C = Ga and Sn). On the basis of electronic structure (density of states) and mechanical properties (tetragonal shear constant), as well as magnetic interactions (Heisenberg exchange coupling parameters), we probe the properties of these materials in detail. We calculate the formation energy of these alloys in the (face-centered) cubic austenite structure to probe the stability of all these materials. From the energetic point of view, we have studied the possibility of the electronically stable alloys having a tetragonal phase lower in energy compared to the respective cubic phase. A large number of the magnetic alloys is found to have the cubic phase as their ground state. On the other hand, for another class of alloys, the tetragonal phase has been found to have lower energy compared to the cubic phase. Further, we find that the values of tetragonal shear constant show a consistent trend: a high positive value for materials not prone to tetragonal transition and low or negative for others. In the literature, materials which have been seen to undergo the martensite transition are found to be metallic in nature. We probe here if there is any Heusler alloy which has a tendency to undergo a tetragonal transition and at the same time possesses a high spin polarization at the Fermi level. From our study, it is found that out of the four materials which exhibit a martensite phase as their ground state, three of these, namely, Ni2MnGa , Ni2MoGa , and Co2NbSn have a metallic nature; on the contrary, Co2MoGa exhibits a high spin polarization.

  9. Enhanced power factor and reduced thermal conductivity of a half-Heusler derivative Ti{sub 9}Ni{sub 7}Sn{sub 8}: A bulk nanocomposite thermoelectric material

    SciTech Connect

    Misra, D. K. E-mail: dakkmisra@gmail.com; Rajput, A.; Bhardwaj, A.; Chauhan, N. S.; Singh, Sanjay

    2015-03-09

    We report a half-Heusler (HH) derivative Ti{sub 9}Ni{sub 7}Sn{sub 8} with VEC = 17.25 to investigate the structural changes for the optimization of high thermoelectric performance. The structural analysis reveals that the resulting material is a nanocomposite of HH and full-Heusler with traces of Ti{sub 6}Sn{sub 5} type-phase. Interestingly, present nanocomposite exhibits a significant decrease in thermal conductivity due to phonon scattering and improvement in the power factor due to combined effect of nanoinclusion-induced electron injection and electron scattering at interfaces, leading to a boost in the ZT value to 0.32 at 773 K, which is 60% higher than its bulk counterpart HH TiNiSn.

  10. First-principles study on magnetism and half-metallicity in bulk and various (001) surfaces of Heusler alloy Zr2VSn with Hg2CuTi-type structure

    NASA Astrophysics Data System (ADS)

    Deng, Zun-Yi; Zhang, Jian-Min

    2016-07-01

    Structural, electronic and magnetic properties in the bulk and five different (001) surfaces (ZrV-, ZrSn-, VV-, ZrZr- and SnSn-terminations) of Zr2 VSn Heusler alloy with Hg2 CuTi -type structure are studied by using first-principles calculations based on density-functional theory. The bulk Zr2 VSn Heusler alloy is ferrimagnetic half-metallicity with equilibrium lattice constant 6.815 Å and total magnetic moment -1.000 μB / f.u . , following the Slater-Pauling rule μt =Zt - 18 . The atoms on different surface layers exhibit different displacements, electronic and magnetic properties. All five (001) surfaces lose the half-metallicity and are not usable in spintronics devices.

  11. Interface magnetism of Co{sub 2}FeGe Heusler alloy layers and magnetoresistance of Co{sub 2}FeGe/MgO/Fe magnetic tunnel junctions

    SciTech Connect

    Tanaka, M. A. Maezaki, D.; Ishii, T.; Okubo, A.; Mibu, K.; Hiramatsu, R.; Ono, T.

    2014-10-28

    The interface magnetism between Co{sub 2}FeGe Heusler alloy layers and MgO layers was investigated using {sup 57}Fe Mössbauer spectroscopy. Interface-sensitive samples, where the {sup 57}Fe isotope was used only for the interfacial atomic layer of the Co{sub 2}FeGe layer on the MgO layer, were prepared using atomically controlled alternate deposition. The {sup 57}Fe Mössbauer spectra of the interface-sensitive samples at room temperature were found similar to those of the bulk-sensitive Co{sub 2}FeGe films in which the {sup 57}Fe isotope was distributed throughout the films. On the other hand, the tunnel magnetoresistance effect of magnetic tunnel junctions with Co{sub 2}FeGe layers as the ferromagnetic electrodes showed strong reduction at room temperature. These results indicate that the strong temperature dependence of the tunneling magnetoresistance of magnetic tunnel junctions using Heusler alloy electrodes cannot be attributed simply to the reduction of the magnetization at the interfaces between the Heusler alloy and insulator layers.

  12. Compounding in Ukraine.

    PubMed

    Zdoryk, Oleksandr A; Georgiyants, Victoriya A; Gryzodub, Oleksandr I; Schnatz, Rick

    2013-01-01

    Pharmaceutical compounding in modern Ukraine has a rich history and goes back to ancient times. Today in the Ukraine, there is a revival of compounding practice, the opening of private compounding pharmacies, updating of legislative framework and requirements of the State Pharmacopeia of Ukraine for compounding preparations, and the introduction of Good Pharmaceutical Practice. PMID:23696172

  13. Pharmacy compounding urban legends.

    PubMed

    Kastango, Eric S

    2006-01-01

    This article reviews and clarifies a small sampling of the myths, or urban legends, about compounding. Included are comments on United sTates Pharmacopeia Chapter 797, environmental issues related to sterile compounding, and suggested resources for clarification of some of these myths. This article recommends a knowledge-based partnership between compounding pharmacists and pharmaceutical manufacturers to improve compounding activities and quality assurance methods to ensure that compounded medications are safe.

  14. Phytodegradation of organic compounds.

    PubMed

    Newman, Lee A; Reynolds, Charles M

    2004-06-01

    The phytodegradation of organic compounds can take place inside the plant or within the rhizosphere of the plant. Many different compounds and classes of compounds can be removed from the environment by this method, including solvents in groundwater, petroleum and aromatic compounds in soils, and volatile compounds in the air. Although still a relatively new area of research, there are many laboratories studying the underlying science necessary for a wide range of applications for plant-based remediation of organic contaminants.

  15. Self-propagating high temperature synthesis for compound thermoelectrics and new criterion for applicability of combustion processing

    NASA Astrophysics Data System (ADS)

    Tang, Xinfeng; Su, Xianli; Uher, Ctirad; Tang's Group Team; Uher's Group Team

    2015-03-01

    Here we report compound thermoelectric materials (Bi2Te3, Bi2Se3, Cu2Se,Cu2SnSe3, half-Heusler alloys, lead chalcogenides, skutterudites, and magnesium silicides) with thermoelectric properties comparable with materials prepared by the traditional routes of synthesis can be synthesized at a minimal cost and on the time scale of seconds using the self-propagating high temperature synthesis method. Moreover, we found that the criterion often quoted in the literature as the necessary precondition for combustion synthesis, Tad >= 1800 K, is not universal and certainly not applicable to thermoelectric compound semiconductors. Instead, we offer new empirically-based criterion, Tad /Tm , L >1, i.e., the adiabatic temperature must be high enough to melt the lower melting point component, which covers all materials synthesized by self-propagating high temperature synthesis, including the high temperature refractory compounds for which the Tad >= 1800 K criterion was originally developed. Our work opens a new avenue for ultra-fast, low cost, mass production fabrication of efficient thermoelectric materials and the new criterion greatly broadens the scope of materials that can be successfully synthesized by self-propagating high temperature synthesis. We wish to acknowledge support from the National Basic Research Program of China (973 program) under Project 2013CB632502.

  16. Dinitroso and polynitroso compounds

    PubMed Central

    Gowenlock, Brian G.; Richter-Addo, George B.

    2005-01-01

    The growing interest in the chemistry of C-nitroso compounds (RN=O; R = alkyl or aryl group) is due in part to the recognition of their participation in various metabolic processes of nitrogen-containing compounds. C-Nitroso compounds have a rich organic chemistry in their own right, displaying interesting intra- and intermolecular dimerization processes and addition reactions with unsaturated compounds. In addition, they have a fascinating coordination chemistry. While most of the attention has been directed towards C-nitroso compounds containing a single –NO moiety, there is an emerging area of research dealing with dinitroso and polynitroso compounds. In this critical review, we present and discuss the synthetic routes and properties of these relatively unexplored dinitroso and polynitroso compounds, and suggest areas of further development involving these compounds. (126 references.) PMID:16100619

  17. Compounds affecting cholesterol absorption

    NASA Technical Reports Server (NTRS)

    Hua, Duy H. (Inventor); Koo, Sung I. (Inventor); Noh, Sang K. (Inventor)

    2004-01-01

    A class of novel compounds is described for use in affecting lymphatic absorption of cholesterol. Compounds of particular interest are defined by Formula I: ##STR1## or a pharmaceutically acceptable salt thereof.

  18. Regulating compounding pharmacies.

    PubMed

    Noble, Ashley

    2015-06-01

    (1) The Pew Charitable Trusts identified 27 compounding incidents that resulted in 89 deaths since 2001. (2) Unlike drug manufacturers, compounding pharmacies are generally not required to report adverse events associated with their products to the FDA. (3) Federal law on drug compounding was updated in 2013 to create a new group of compounders called "outsourcing facilities." Over 50 facilities in 23 states are now registered with the FDA.

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

    SciTech Connect

    Chen, Ying; Wu, Bo; Yuan, Hongkuan; Feng, Yu; Chen, Hong

    2015-01-15

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

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

    PubMed

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

    2009-01-01

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

  1. Energy or compost from green waste? - A CO(2) - based assessment.

    PubMed

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

    2010-04-01

    Green waste is increasingly extracted from the material recycling chain and, as a result of the financial subsidy arising from the German renewable energy law for the generation of energy from renewable raw materials; it is fed into the energy recovery process in biomass power stations. A reduction in climate relevant gases is also linked to the material recovery of green waste - in particular when using composts gained from the process as a new raw material in different types of potting compost and plant culture media as a replacement for peat. Unlike energy recovery, material valorisation is not currently subsidised. Through the analysis of material and energy valorisation methods for green waste, with particular emphasis on primary resource consumption and CO(2)-balance, it could be determined that the use of green waste for energy generation and its recovery for material and peat replacement purposes can be considered to be on a par. Based on energy recovery or material oriented scenarios, it can be further deduced that no method on its own will achieve the desired outcome and that a combination of recycling processes is more likely to lead to a significant decrease of greenhouse gas emissions. PMID:19896819

  2. Chemicals loading in acetylated bamboo assisted by supercritical CO2 based on phase equilibrium data

    NASA Astrophysics Data System (ADS)

    Silviana, Petermann, M.

    2015-12-01

    Indonesia has a large tropical forest. However, the deforestation still appears annually and vastly. This reason drives a use of bamboo as wood alternative. Recently, there are many modifications of bamboo in order to prolong the shelf life. Unfortunately, the processes need more chemicals and time. Based on wood modification, esterifying of bamboo was undertaken in present of a dense gas, i.e. supercritical CO2. Calculation of chemicals loading referred to ASTM D1413-99 by using the phase equilibrium data at optimum condition by a statistical design. The results showed that the acetylation of bamboo assisted by supercritical CO2 required 14.73 kg acetic anhydride/m3 of bamboo for a treatment of one hour.

  3. Energy or compost from green waste? - A CO(2) - based assessment.

    PubMed

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

    2010-04-01

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

  4. Preparation and rheology of supercritical CO2-based dispersed polymer-clay nanocomposites

    NASA Astrophysics Data System (ADS)

    Kannan, Rangaramanujam; Horsch, Steven; Gulari, Esin

    2007-03-01

    Effective dispersion of the fillers in a polymer matrix has been a key challenge in the field of nanocomposites. Supercritical carbon dioxide (scCO2) appears , PS/clay, The nanocomposites are characterized using WAXD, SEM, TEM, Rheology and DSC. The high degree of dispersion achieved through sc-CO2 appears to result in an order of magnitude increase in the rheological properties of PS, associated with an increase in the Tg of around 13 C, at 10% clay loading. These moduli improvements are significant better than those obtained with conventional, chemically-modified intercalated clay nanocomposites. The degree of enhancement in the properties appears to be strongly dependant on the polymer-clay interactions, and how it is promoted by the supercritical fluid. In the case of PDMS nanocomposites, where the clay-polymer interactions were weak, the modulus increase at low frequencies (for sc-CO2 processed system) was only a factor of 2. In the case of PVME- I30P clay nanocomposites, the modulus increase was substantial even at moderate loadings and dispersions, perhaps to be hydrogen-bonding interactions. Our results indicate that scCO2 can not only disperse nanoclays in polymers, it can also significantly enhance clay-polymer interactions.

  5. Pressure-magnetic field induced phase transformation in Ni{sub 46}Mn{sub 41}In{sub 13} Heusler alloy

    SciTech Connect

    Rama Rao, N. V. Manivel Raja, M.; Pandian, S.; Esakki Muthu, S.; Arumugam, S.

    2014-12-14

    The effect of hydrostatic pressure and magnetic field on the magnetic properties and phase transformation in Ni{sub 46}Mn{sub 41}In{sub 13} Heusler alloy was investigated. Pressure (P)-magnetic field (H)-temperature (T) phase diagram has been constructed from experimental results. In the P–T contour of the phase diagram, the slope of the austenite-martensite phase boundary line appears positive (dT/dP > 0), while it appears negative (dT/dH < 0) in the H–T contour. The results revealed that pressure and magnetic field have opposite effect on phase stabilization. The combined effect of pressure and magnetic field on martensitic transition has led to two important findings: (i) pressure dependent shift of austenite start temperature (A{sub s}) is higher when larger field is applied, and (ii) field dependent shift of A{sub s} is lowered when a higher pressure is applied. The pressure and magnetic field dependent shift observed in the martensitic transformation has been explained on the basis of thermodynamic calculations. Curie temperature of the phases was found to increase with pressure at a rate of 0.6 K/kbar.

  6. Enhancement of current-perpendicular-to-plane giant magnetoresistance in Heusler-alloy based pseudo spin valves by using a CuZn spacer layer

    SciTech Connect

    Furubayashi, T. Takahashi, Y. K.; Sasaki, T. T.; Hono, K.

    2015-10-28

    Enhancement of magnetoresistance output was attained in current-perpendicular-to-plane giant magnetoresistance (CPP-GMR) devices by using a bcc CuZn alloy for the spacer. Pseudo spin valves that consisted of the Co{sub 2}Fe(Ga{sub 0.5}Ge{sub 0.5}) Heusler alloy for ferromagnetic layers and CuZn alloy with the composition of Cu{sub 52.4}Zn{sub 47.6} for a spacer showed the large change of the resistance-area products, ΔRA, up to 8 mΩ·μm{sup 2} for a low annealing temperature of 350 °C. The ΔRA value is one of the highest reported so far for the CPP-GMR devices for the low annealing temperature, which is essential for processing read heads for hard disk drives. We consider that the enhancement of ΔRA is produced from the spin-dependent resistance at the Co{sub 2}Fe(Ga{sub 0.5}Ge{sub 0.5})/CuZn interfaces.

  7. Preparation of Co{sub 2}FeSn Heusler alloy films and magnetoresistance of Fe/MgO/Co{sub 2}FeSn magnetic tunnel junctions

    SciTech Connect

    Tanaka, M. A.; Ishikawa, Y.; Wada, Y.; Hori, S.; Murata, A.; Horii, S.; Yamanishi, Y.; Mibu, K.; Kondou, K.; Ono, T.; Kasai, S.

    2012-03-01

    To obtain magnetic tunnel junctions (MTJs) composed of non-equilibrium alloy, Co{sub 2}FeSn films were prepared by atomically controlled alternate deposition at various substrate temperatures. X-ray diffraction patterns and Moessbauer spectra clarify that Co{sub 2}FeSn films in the Heusler alloy phase can be realized by growing at a substrate temperature of 250 deg. C or below. Phase separation into cubic CoSn, hexagonal CoSn and cubic CoFe phases occurs in films grown at substrate temperatures 300 deg. C or greater. Fe/MgO/Co{sub 2}FeSn MTJs were prepared with the Co{sub 2}FeSn layer grown at various substrate temperatures. The MTJs with the ferromagnetic Co{sub 2}FeSn layer grown at a substrate temperature of 250 deg. C showed tunnel magnetoresistance ratios of 72.2% and 43.5% at 2 K and 300 K, respectively.

  8. Structural and magnetic properties of quaternary Co{sub 2}Mn{sub 1-x}Cr{sub x}Si Heusler alloy thin films

    SciTech Connect

    Aftab, M.; Hassnain Jaffari, G.; Hasanain, S. K.; Ismat Shah, S.

    2011-09-01

    We present the structural, magnetic, and transport properties of quaternary Co{sub 2}Mn{sub 1-x}Cr{sub x}Si (0 {<=} x {<=} 1) Heusler alloy thin films prepared by DC magnetron sputtering on commercially available glass substrates without any buffer layer. Recent theoretical calculations have shown the compositions to be half-metallic. XRD patterns show the presence of L2{sub 1} structure in the films for x = 0, however, the peaks intensities are not in accordance with the literature. High resolution transmission electron microscopy images of films show granular morphologies, crystalline growth, and an ordered L2{sub 1} structure for x {<=} 0.6. For higher Cr concentrations, secondary phases start to appear in the films. Magnetization measurements as a function of applied magnetic field show that the saturation moments for x {<=} 0.2 follow the Slater-Pauling rule, however, for 0.2 < x {<=} 0.6 the saturation moments fall short of the theoretically predicted values. Transport measurements at room temperature show a monotonic increase in resistivity with increasing Cr concentration. These results are explained in terms of texturing effects, Co-Cr antisite disorder, presence of secondary phases, and the amount of disorder present in the films.

  9. Magnesium and cadmium containing Heusler phases REPd2Mg, REPd2Cd, REAg2Mg, REAu2Mg and REAu2Cd

    NASA Astrophysics Data System (ADS)

    Johnscher, Michael; Stein, Sebastian; Niehaus, Oliver; Benndorf, Christopher; Heletta, Lukas; Kersting, Marcel; Höting, Christoph; Eckert, Hellmut; Pöttgen, Rainer

    2016-02-01

    Twenty-eight new Heusler phases REPd2Mg, REPd2Cd, REAg2Mg, REAu2Mg and REAu2Cd with different rare earth elements were synthesized from the elements in sealed niobium ampoules in a water-cooled sample chamber of an induction furnace. The samples were characterized by powder X-ray diffraction. The cell volumes show the expected lanthanide contraction. The structures of YPd2Cd, GdPd2Cd, GdAu2Cd, Y1.12Ag2Mg0.88 and GdAg2Mg were refined based on single crystal diffractometer data. The magnetic properties were determined for fifteen phase pure samples. LuAu2Mg is a weak Pauli paramagnet with a susceptibility of 1.0(2) × 10-5 emu mol-1 at room temperature. The remaining samples show stable trivalent rare earth ions and most of them order magnetically at low temperatures. The ferromagnet GdAg2Mg shows the highest ordering temperature of TC = 98.3 K. 113Cd and 89Y MAS NMR spectra of YAu2Cd and YPd2Cd confirm the presence of unique crystallographic sites. The resonances are characterized by large Knight shifts, whose magnitude can be correlated with electronegativity trends.

  10. Thermodynamic stability, magnetism and half-metallicity of Heusler alloy Co2MnX(X = Si, Ge, Sn)(1 0 0) surface

    NASA Astrophysics Data System (ADS)

    Wu, Bo; Yuan, Hongkuan; Kuang, Anlong; Chen, Hong; Feng, Yu

    2012-03-01

    The thermodynamic stability, magnetism and half-metallicity of Heusler alloy Co2MnX(X = Si, Ge, Sn)(1 0 0) surface are comprehensively investigated from the first-principles calculations. The calculated phase diagram indicates that with increasing core electrons of X atoms in Co2MnX(1 0 0) the CoCo termination will be faded out of the thermodynamic equilibrium region gradually. Due to the difference of Cosbnd X bonding the surface Co and Mn atoms prefer to move towards the slab and vacuum, respectively. By comparing with the bulk, the surface Co and Mn atomic magnetic moments (AMMs) are enhanced obviously because of the significant surface d-electronic localization. Further investigations of the partial density of states (PDOS) show that the half-metallicity observed in bulk has been destroyed by the surface states in deficient-Mn atomic terminated surface, only the terminations capped pure Mn atoms in Co2MnSi(1 0 0) and Co2MnGe(1 0 0) surfaces preserve spin-polarization of 100% instead of the Co2MnSn(1 0 0) surface, which is a possible explanation for low experimental tunnel magnetoresistance (TMR) value in Co2MnSn(1 0 0)-based magnetic tunnel junctions (TMJs).

  11. Neutron diffraction study of the martensitic transformation and chemical order in Heusler alloy Ni1.91Mn1.29Ga0.8

    DOE PAGESBeta

    Ari-Gur, Pnina; Garlea, Vasile O.; Cao, Huibo; Ge, Y.; Aaltio, I.; Hannula, S. P.; Koledov, V.

    2015-11-05

    In this study, Heusler alloys of Ni-Mn-Ga compositions demonstrate ferromagnetic shape memory effect in the martensitic state. The transformation temperature and the chemical order depend strongly on the composition. In the current work, the structure and chemical order of the martensitic phase of Ni1.91Mn1.29Ga0.8 were studied using neutron diffraction; the diffraction pattern was refined using the FullProf software. It was determined that the structural transition occurs around 330 K. At room temperature, 300 K, which is below the martensite transformation temperature, all the Bragg reflections can be described by a monoclinic lattice with a symmetry of space group P 1more » 2/m 1 and lattice constants of a = 4.23047(7) [Å], b = 5.58333(6) [Å], c = 21.0179(2) [Å], beta = 90.328(1). The chemical order is of critical importance in these alloys, and it was previously studied at 363 K. Analysis of the neutron diffraction in the monoclinic phase shows that the chemical order is maintained during the martensitic transformation.« less

  12. Large spontaneous exchange bias and giant magnetoresistance in Ni50Mn37-xFexIn13(x=2-4) Heusler alloys

    NASA Astrophysics Data System (ADS)

    Jing, Chao; Liu, Yang; Zheng, Dong; Wang, Xiaolong; Sun, Junkun; Zhang, Yuanlei; Liu, Changqin; Deng, Dongmei; Feng, Zhenjie; Xu, Kun; Li, Zhe

    2016-09-01

    In the present work, we have obtained a large zero-field cooled exchange-bias (spontaneous exchange bias, SEB) in Ni50Mn35Fe2In13 Heusler alloy. The experimental results indicate that the sample with x=2 exhibits super-spin glass (SSG), super-paramagnetic (SPM), super-ferromagnetic (SFM) and antiferromagnetic (AFM) behaviors in the martensite state at low temperature. Contributing to the complex magnetic interactions, a large SEB effect with the value of 1567 Oe was obtained at 5 K. At the same time, a non-monotonic behavior of spontaneous exchange bias field (spontaneous HEB) was observed with the variation of temperature, which is resulted from the competition between the volume fraction of SFM clusters and the exchange coupling of the SFM-AFM interface. In addition, during martensitic transformation (MT), extraordinary electrical transport properties of Ni50Mn37-xFexIn13 (x=2-4) alloys have been observed under various external magnetic field. The maximal value of the giant magnetoresistance (GMR) reaches about 57% at 135 K under the external magnetic field change of 50 kOe. The effect of field induced reverse martensitic transformation (FIRMT) on the GMR has been also discussed.

  13. Investigation of electronic structure, magnetic and transport properties of half-metallic Mn2CuSi and Mn2ZnSi Heusler alloys

    NASA Astrophysics Data System (ADS)

    Bhat, Idris Hamid; Yousuf, Saleem; Mohiuddin Bhat, Tahir; Gupta, Dinesh C.

    2015-12-01

    The electronic and magnetic properties of Mn2CuSi and Mn2ZnSi Heusler alloys have been investigated using full-potential linearized augmented plane wave method. The optimized equilibrium lattice parameters in stable F-43m configuration are found to be 5.75 Å for Mn2CuSi and 5.80 Å for Mn2ZnSi. Spin-resolved calculations show that the Mn atoms at inequivalent Wyckoff positions have different contributions to the total magnetic moment in the unit cell. The anti-parallel magnetic moments of inequivalent Mn atoms sum to an integer with total magnetic moment per unit cell. The 100% spin-polarization at Fermi energy together with the total magnetic moment of 1.0 μB for Mn2CuSi and 2.0 μB for Mn2ZnSi per unit cell, predict that the materials follow MT=ZT - 28 Slater-Pauling rule. Both the materials under study exhibit half-metallicity with an energy gap in the spin-down channels. In the study, we predict a rather fine value of Seebeck coefficient. Further, the decreasing electrical conductivity with temperature shows a metallic character in spin-up configurations, while the electrical conductivity of spin-down states follows a semiconductor-like trend.

  14. Phase transition processes and magnetocaloric effects in the Heusler alloys NiMnGa with concurrence of magnetic and structural phase transition

    NASA Astrophysics Data System (ADS)

    Long, Y.; Zhang, Z. Y.; Wen, D.; Wu, G. H.; Ye, R. C.; Chang, Y. Q.; Wan, F. R.

    2005-08-01

    The Ni2MnGa-based Heusler alloys with high magnetocaloric effect have attracted considerable attention as a promising magnetic refrigerant. The phase-transition processes and magnetic entropy changes in the NiMnGa alloys with the concurrence of magnetic and structural phase transitions were studied. The ac magnetic susceptibility results showed the magnetic transition occurred during the reverse martensitic phase transition in the Ni55.5Mn20Ga24.5 alloy and the direct transition from the ferromagnetic matrensitic phase to the paramagnetic austenitic phase occurred in the Ni54.9Mn20.5Ga24.6 alloy. When the magnetic field had changed to 2 T, a comparable large magnetic entropy change was observed in both the Ni55.5Mn20Ga24.5 and Ni54.9Mn20.5Ga24.6 alloys, which is speculated as the result of the discontinuous change of magnetization near the phase transition.

  15. International Round-Robin Study on Thermoelectric Transport Properties of n-type Half-Heusler from 300 K to 773 K

    SciTech Connect

    Wang, Hsin; Bai, Shengqiang; Chen, Lidong; Cuenat, Alexander; Joshi, Giri; Kleinke, Holger; Konig, Jan; Lee, Hee Woong; Martin, Joshua; Oh, Min-Wook; Porter, Wallace D.; Ren, Zhifeng; Salvador, James R.; Sharp, Jeff W.; Taylor, Patrick; Thompson, Alan J.; Tseng, Yu -Chih

    2015-01-01

    International transport property measurement round-robins have been conducted by the Thermoelectric Annex under the International Energy Agency (IEA) Implementing Agreement on Advanced Materials for Transportation (AMT). The previous round-robins used commercially available bismuth telluride as the testing material, with the goals of understanding measurement issues and developing standard testing procedures. The current round-robin extended the measurement temperature range to 773 K. It was designed to meet the increasing demands for reliable transport data of thermoelectric materials for power generation applications. Eleven laboratories from six IEA-AMT member countries participated in this study. Half-Heusler (n-type) material prepared by GMZ Energy was selected for the round-robin. The measured transport properties showed narrower distribution on uncertainties compared to previous round-robin efforts. The study intentionally included multiple testing methods and instrument types. Over the full temperature range, the measurement discrepancies on the figure of merit, ZT, in this round-robin were ±1.5 to ±16.4% from the averages.

  16. International Round-Robin Study on Thermoelectric Transport Properties of n-type Half-Heusler from 300 K to 773 K

    DOE PAGESBeta

    Wang, Hsin; Bai, Shengqiang; Chen, Lidong; Cuenat, Alexander; Joshi, Giri; Kleinke, Holger; Konig, Jan; Lee, Hee Woong; Martin, Joshua; Oh, Min-Wook; et al

    2015-01-01

    International transport property measurement round-robins have been conducted by the Thermoelectric Annex under the International Energy Agency (IEA) Implementing Agreement on Advanced Materials for Transportation (AMT). The previous round-robins used commercially available bismuth telluride as the testing material, with the goals of understanding measurement issues and developing standard testing procedures. The current round-robin extended the measurement temperature range to 773 K. It was designed to meet the increasing demands for reliable transport data of thermoelectric materials for power generation applications. Eleven laboratories from six IEA-AMT member countries participated in this study. Half-Heusler (n-type) material prepared by GMZ Energy was selectedmore » for the round-robin. The measured transport properties showed narrower distribution on uncertainties compared to previous round-robin efforts. The study intentionally included multiple testing methods and instrument types. Over the full temperature range, the measurement discrepancies on the figure of merit, ZT, in this round-robin were ±1.5 to ±16.4% from the averages.« less

  17. Molecular-beam epitaxy of Co2MnSi Heusler alloy thin films epitaxially grown on Si(0 0 1)

    NASA Astrophysics Data System (ADS)

    Stephan, R.; Dulot, F.; Mehdaoui, A.; Berling, D.; Wetzel, P.

    We report on the investigation of structural and magnetic properties of the ternary Heusler alloy Co2MnSi grown on Si(0 0 1) by molecular-beam epitaxy. Low-energy electron diffraction (LEED), inelastic medium-energy electron diffraction (IMEED) and X-ray photoelectron diffraction (XPD) measurements clearly show the growth of crystalline Co2MnSi. The best crystallographic and magnetic quality of the Co2MnSi films have been achieved after codeposition of the three Co, Mn and Si elements on the Si(0 0 1) substrate held at 587 K. Quantitative determinations of magnetic anisotropies were performed using transverse bias initial inverse susceptibility and torque measurements (TBIIST). Co2MnSi reveals to have an in-plane fourfold magnetocrystalline anisotropy with easy axis along <0 1 0> directions for evaporation fluxes perpendicular to the substrate surface. On the other hand, grazing-incidence fluxes invariably generate a dominant uniaxial in-plane magnetic anisotropy contribution with easy axis perpendicular to the incidence plane.

  18. Predicting Pathways for Synthesis of Ferromagnetic τ Phase in Binary Heusler Alloy Al-55 pct Mn Through Understanding of the Kinetics of ɛ-τ Transformation

    NASA Astrophysics Data System (ADS)

    Palanisamy, Dhanalakshmi; Singh, Shailesh; Srivastava, Chandan; Madras, Giridhar; Chattopadhyay, Kamanio

    2016-09-01

    This paper outlines the detailed procedure for the synthesis of pure ferromagnetic τ phase in binary Heusler Al-55 pct Mn alloy in bulk form through casting route without any addition of stabilizers. To obtain the processing domain for the formation of the τ phase from high-temperature ɛ phase, isothermal transformation experiments were carried out. The structure and microstructure were characterized by X-ray diffraction and electron microscopy studies. The τ phase start times were obtained through magnetic measurements. In order to tune the casting conditions for the formation of this phase, thermal modeling was carried out to predict the heat extraction rates for copper molds of different diameters (2 to 12 mm) containing hot solids during casting process. This enabled us to estimate the diameter of the mold to be used for obtaining τ phase directly during casting. It was concluded through experimental verification that 10-mm-diameter casting in copper mold is suitable to obtain complete τ phase. A saturation magnetization of 116 emu/g at 10 K was measured for such samples. The Curie point for the τ phase was found to be 668 K (395 °C). Additionally, the cast rod exhibits a compressive strength of 1170 MPa which is higher than those of both ferrites and AlNiCo magnets.

  19. Investigations of the electronic and magnetic structures of Co{sub 2}YGa (Y=Cr, Mn) Heusler alloys and their (100) surfaces

    SciTech Connect

    Hamad, Bothina

    2014-03-21

    Density functional theory calculations are performed to investigate the structural, electronic, and magnetic properties of bulk structures of Co{sub 2}YGa (Y = Cr, Mn) Heusler alloys and the surfaces along the (100) orientation. The bulk structures of both alloys show a ferromagnetic behavior with total magnetic moments of 3.03μ{sub B} and 4.09μ{sub B} and high spin polarizations of 99% and 67% for Co{sub 2}CrGa and Co{sub 2}MnGa, respectively. The surfaces are found to exhibit corrugations due to different relaxations of the surface atoms. For the case of Co{sub 2}CrGa, two surfaces preserve the half metallicity, namely those with Cr-Ga and Ga– terminations with high spin polarizations above 90%, whereas it dropped to about 50% for the other surfaces. However, the spin polarizations of Co-Co and Mn-Ga terminated surfaces remain close to that of bulk Co{sub 2}MnGa alloy, whereas it is suppressed down to 17% for Co– termination. The highest local magnetic moments are found to be 3.26 μ{sub B} and 4.11 μ{sub B} for Cr and Mn surface atoms in Cr-Ga and Mn– terminated surfaces, respectively.

  20. The effect of Pd on martensitic transformation and magnetic properties for Ni50Mn38-xPdxSn12Heusler alloys

    NASA Astrophysics Data System (ADS)

    Jing, C.; Zheng, D.; Li, Z.; Yu, L. J.; Zhang, Y. L.; Liu, Y.; Sun, J. K.; Liu, C. Q.; Deng, D. M.; Yang, W. T.

    2016-05-01

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

  1. Enhancement of current-perpendicular-to-plane giant magnetoresistance in Heusler-alloy based pseudo spin valves by using a CuZn spacer layer

    NASA Astrophysics Data System (ADS)

    Furubayashi, T.; Takahashi, Y. K.; Sasaki, T. T.; Hono, K.

    2015-10-01

    Enhancement of magnetoresistance output was attained in current-perpendicular-to-plane giant magnetoresistance (CPP-GMR) devices by using a bcc CuZn alloy for the spacer. Pseudo spin valves that consisted of the Co2Fe(Ga0.5Ge0.5) Heusler alloy for ferromagnetic layers and CuZn alloy with the composition of Cu52.4Zn47.6 for a spacer showed the large change of the resistance-area products, ΔRA, up to 8 mΩ.μm2 for a low annealing temperature of 350 °C. The ΔRA value is one of the highest reported so far for the CPP-GMR devices for the low annealing temperature, which is essential for processing read heads for hard disk drives. We consider that the enhancement of ΔRA is produced from the spin-dependent resistance at the Co2Fe(Ga0.5Ge0.5)/CuZn interfaces.

  2. Temperature-dependence of current-perpendicular-to-the-plane giant magnetoresistance spin-valves using Co2(Mn1-xFex)Ge Heusler alloys

    NASA Astrophysics Data System (ADS)

    Page, M. R.; Nakatani, T. M.; Stewart, D. A.; York, B. R.; Read, J. C.; Choi, Y.-S.; Childress, J. R.

    2016-04-01

    The properties of Co2(Mn1-xFex)Ge (CMFG) (x = 0-0.4) Heusler alloy magnetic layers within polycrystalline current-perpendicular-to-the plane giant magnetoresistance (CPP-GMR) spin-valves are investigated. CMFG films annealed at 220-320 °C exhibit partly ordered B2 structure with an order parameter SB2 = 0.3-0.4, and a lower SB2 was found for a higher Fe content. Nevertheless, CPP-GMR spin-valve devices exhibit a relatively high magnetoresistance ratio of ˜13% and a magnetoresistance-area product (ΔRA) of ˜6 mΩ μm2 at room temperature, which is almost independent of the Fe content in the CMFG films. By contrast, at low temperatures, ΔRA clearly increases with higher Fe content, despite the lower B2 ordering for increasing the Fe content. Indeed, first-principles calculations reveal that the CMFG alloy with a partially disordered B2 structure has a greater density of d-state at the Fermi level in the minority band compared to the Fe-free (Co2MnGe) alloy. This could explain the larger ΔRA measured on CMFG at low temperatures by assuming that s-d scattering mainly determines the spin asymmetry of resistivity as described in Mott's theory.

  3. Exchange interactions and Curie temperatures of Mn2CoZ compounds.

    PubMed

    Meinert, Markus; Schmalhorst, Jan-Michael; Reiss, Günter

    2011-03-23

    The generalized Heusler compounds Mn(2)CoZ (Z = Al, Ga, In, Si, Ge, Sn, Sb) with the Hg(2)CuTi structure are of great interest due to their half-metallic ferrimagnetism. The complex magnetic interactions between the constituents are studied by means of first principles calculations of the Heisenberg exchange coupling parameters, and Curie temperatures are calculated from those. Due to the direct Mn-Mn exchange interaction in Mn(2)CoZ, the Curie temperature decreases, although the total moment increases when the valence electron number Z is increased. The exchange interactions are dominated by a strong direct exchange between Co and its nearest neighbor Mn on the B site, which is nearly constant. The coupling between the nearest neighbor Mn atoms scales with the magnetic moment of the Mn atom on the C site. Calculations with different lattice parameters suggest a negative pressure dependence of the Curie temperature, which follows from the decreasing magnetic moments. Curie temperatures of more than 800 K are predicted for Mn(2)CoAl (890 K), Mn(2)CoGa (886 K), and Mn(2)CoIn (845 K).

  4. Acceleration of ordering transformation of a new Fe{sub 2}(Mn,Cr)Si Heusler-alloy film by very high frequency plasma irradiation process during radio frequency sputter deposition

    SciTech Connect

    Yoshimura, S.; Kobayashi, H.; Egawa, G.; Saito, H.; Ishida, S.

    2011-04-01

    A new Heusler alloy, Fe{sub 2}(Mn,Cr)Si, that is likely to have high spin polarization (P) and high damping constant ({alpha}) was proposed to obtain high magneto-resistance ratio and low spin torque noise in a magnetic read head with a current-perpendicular-to-plane (CPP) giant magneto-resistance (GMR) multilayer. A very high frequency (VHF) plasma irradiation process during radio frequency (RF) sputter deposition was investigated to form the highly ordered structure of the Heusler alloy film with low thermal treatment temperature. The main results are as follows: (1) P and magnetic moment of Fe{sub 2}(Mn{sub 0.5}Cr{sub 0.5})Si with an L2{sub 1} structure were estimated at 0.99 and 2.49 {mu}{sub B}/f.u., respectively, and {alpha} was also estimated to be larger compared with the case of Co{sub 2}MnSi, according to density of states (DOS) calculations. (2) The ordering (at least B2 structure) temperature of Fe{sub 2}(Mn{sub 0.6}Cr{sub 0.4})Si film decreased from 500 to 300 deg. C by using the VHF plasma irradiation process with optimized condition. (3) The surface roughness of Fe{sub 2}(Mn{sub 0.6}Cr{sub 0.4})Si film also reduced from 1.7 to 0.5 nm by using the VHF plasma irradiation process. It is found that the Fe{sub 2}(Mn,Cr)Si Heusler alloy and the VHF plasma irradiation process with optimized condition seems to be applicable for fabrication of high-performance magnetic read head with CPP-GMR device.

  5. Structural and chemical ordering of Heusler CoxMnyGez epitaxial films on Ge (111). Quantitative study using traditional and anomalous x-ray diffraction techniques

    SciTech Connect

    Collins, B. A.; Chu, Y.; He, L.; Haskel, D.; Tsui, F.

    2015-12-14

    We found that epitaxial films of CoxMnyGez grown on Ge (111) substrates by molecular-beam-epitaxy techniques have been investigated as a continuous function of composition using combinatorial synchrotron x-ray diffraction (XRD) and x-ray fluorescence (XRF) spectroscopy techniques. A high-resolution ternary epitaxial phase diagram is obtained, revealing a small number of structural phases stabilized over large compositional regions. Ordering of the constituent elements in the compositional region near the full Heusler alloy Co2MnGe has been examined in detail using both traditional XRD and a new multiple-edge anomalous diffraction (MEAD) technique. Multiple-edge anomalous diffraction involves analyzing the energy dependence of multiple reflections across each constituent absorption edge in order to detect and quantify the elemental distribution of occupation in specific lattice sites. Results of this paper show that structural and chemical ordering are very sensitive to the Co : Mn atomic ratio, such that the ordering is the highest at an atomic ratio of 2 but significantly reduced even a few percent off this ratio. The in-plane lattice is nearly coherent with that of the Ge substrate, while the approximately 2% lattice mismatch is accommodated by the out-of-plane tetragonal strain. Furthermore, the quantitative MEAD analysis reveals no detectable amount (<0.5%) of Co-Mn site swapping, but instead high levels (26%) of Mn-Ge site swapping. Increasing Ge concentration above the Heusler stoichiometry (Co 0.5 Mn 0.25 Ge 0.25 ) is shown to correlate with increased lattice vacancies, antisites, and stacking faults, but reduced lattice relaxation. The highest degree of chemical ordering is observed off the Heusler stoichiometry with a Ge enrichment of 5 at.%.

  6. Structural and chemical ordering of Heusler C oxM nyG ez epitaxial films on Ge (111): Quantitative study using traditional and anomalous x-ray diffraction techniques

    NASA Astrophysics Data System (ADS)

    Collins, B. A.; Chu, Y. S.; He, L.; Haskel, D.; Tsui, F.

    2015-12-01

    Epitaxial films of C oxM nyG ez grown on Ge (111) substrates by molecular-beam-epitaxy techniques have been investigated as a continuous function of composition using combinatorial synchrotron x-ray diffraction (XRD) and x-ray fluorescence (XRF) spectroscopy techniques. A high-resolution ternary epitaxial phase diagram is obtained, revealing a small number of structural phases stabilized over large compositional regions. Ordering of the constituent elements in the compositional region near the full Heusler alloy C o2MnGe has been examined in detail using both traditional XRD and a new multiple-edge anomalous diffraction (MEAD) technique. Multiple-edge anomalous diffraction involves analyzing the energy dependence of multiple reflections across each constituent absorption edge in order to detect and quantify the elemental distribution of occupation in specific lattice sites. Results of this paper show that structural and chemical ordering are very sensitive to the Co : Mn atomic ratio, such that the ordering is the highest at an atomic ratio of 2 but significantly reduced even a few percent off this ratio. The in-plane lattice is nearly coherent with that of the Ge substrate, while the approximately 2% lattice mismatch is accommodated by the out-of-plane tetragonal strain. The quantitative MEAD analysis further reveals no detectable amount (<0.5%) of Co-Mn site swapping, but instead high levels (26%) of Mn-Ge site swapping. Increasing Ge concentration above the Heusler stoichiometry (C o0.5M n0.25G e0.25) is shown to correlate with increased lattice vacancies, antisites, and stacking faults, but reduced lattice relaxation. The highest degree of chemical ordering is observed off the Heusler stoichiometry with a Ge enrichment of 5 at.%.

  7. Ecotoxicology of organofluorous compounds.

    PubMed

    Murphy, Margaret B; Loi, Eva I H; Kwok, Karen Y; Lam, Paul K S

    2012-01-01

    Organofluorous compounds have been developed for myriad purposes in a variety of fields, including manufacturing, industry, agriculture, and medicine. The widespread use and application of these compounds has led to increasing concern about their potential ecological toxicity, particularly because of the stability of the C-F bond, which can result in chemical persistence in the environment. This chapter reviews the chemical properties and ecotoxicology of four groups of organofluorous compounds: fluorinated refrigerants and propellants, per- and polyfluorinated compounds (PFCs), fluorinated pesticides, and fluoroquinolone antibiotics. These groups vary in their environmental fate and partitioning, but each raises concern in terms of ecological risk on both the regional and global scale, particularly those compounds with long environmental half-lives. Further research on the occurrence and toxicities of many of these compounds is needed for a more comprehensive understanding of their ecological effects.

  8. XAFS Model Compound Library

    DOE Data Explorer

    Newville, Matthew

    The XAFS Model Compound Library contains XAFS data on model compounds. The term "model" compounds refers to compounds of homogeneous and well-known crystallographic or molecular structure. Each data file in this library has an associated atoms.inp file that can be converted to a feff.inp file using the program ATOMS. (See the related Searchable Atoms.inp Archive at http://cars9.uchicago.edu/~newville/adb/) This Library exists because XAFS data on model compounds is useful for several reasons, including comparing to unknown data for "fingerprinting" and testing calculations and analysis methods. The collection here is currently limited, but is growing. The focus to date has been on inorganic compounds and minerals of interest to the geochemical community. [Copied, with editing, from http://cars9.uchicago.edu/~newville/ModelLib/

  9. Thermoelectric performance of nanostructured p-type Zr₀.₅Hf₀.₅Co₀.₄Rh₀.₆Sb1–xSnxhalf-Heusler alloys

    SciTech Connect

    Maji, Pramathesh; Makongo, Julien P.A.; Zhou, Xiaoyuan; Chi, Hang; Uher, Ctirad; Poudeu, Pierre F.P.

    2013-06-01

    Several compositions of the p-type half-Heusler alloys Zr₀.₅Hf₀.₅Co₀.₄Rh₀.₆Sb1–xSnx (0≤x≤0.4) were synthesized by mechanically alloying high purity elemental powders using hardened steel jars and balls on a high energy shaker mill. Powder X-ray diffraction (XRD) investigations of several aliquots taken after regularly spaced milling time suggested that single phase products with half-Heusler (HH) structure can be obtained after 10 h. However, XRD and transmission electron microscopy (TEM) studies of several specimens obtained from compacted polycrystalline powders of Z₀.₅Hf₀.₅Co₀.₄Rh₀.₆Sb1–xSnx alloys using a uniaxial hot press (HP) revealed the presence of CoSb inclusions with various sizes embedded inside the HH matrix. Hall effect, electrical conductivity, and thermopower data collected between 300 K and 775 K on several compositions suggested that electronic transport in the synthesized Zr₀.₅Hf₀.₅Co₀.₄Rh₀.₆Sb1–xSnx/CoSb composites strongly depends on the average size and/or mole fraction of the embedded CoSb inclusions rather than the fraction (x) of Sn substituting for Sb. Among the samples investigated, the nanocomposite with x=0.2, which contains nanometer-scale CoSb inclusions, showed the largest power factor (800 μW/K² m at 775 K) and the lowest lattice thermal conductivity (~2.2 W/m K at 775 K) leading to a six-fold enhancement in the figure of merit when compared to the Zr₀.₅Hf₀.₅Co₀.₄Rh₀.₆Sb₀.₉₉Sn₀.₀₁ bulk matrix. - Graphical abstract: CoSb nanoinclusions embedded into a p-type Zr₀.₅Hf₀.₅Co₀.₄Rh₀.₆Sb1–xSnx half-Heusler matrix simultaneously boost the thermopower and carrier mobility leading to a drastic enhancement of the power factor of the resulting bulk nanostructured materials. Highlights: • The phase composition of half-Heusler (HH) alloy is very sensitive

  10. Preparation of uranium compounds

    DOEpatents

    Kiplinger, Jaqueline L; Montreal, Marisa J; Thomson, Robert K; Cantat, Thibault; Travia, Nicholas E

    2013-02-19

    UI.sub.3(1,4-dioxane).sub.1.5 and UI.sub.4(1,4-dioxane).sub.2, were synthesized in high yield by reacting turnings of elemental uranium with iodine dissolved in 1,4-dioxane under mild conditions. These molecular compounds of uranium are thermally stable and excellent precursor materials for synthesizing other molecular compounds of uranium including alkoxide, amide, organometallic, and halide compounds.

  11. Nitrodifluoraminoterphenyl compounds and processes

    DOEpatents

    Lerom, M.W.; Peters, H.M.

    1975-07-08

    This patent relates to the nitrodifluoraminoterphenyl compounds: 3,3''-bis (difluoramino)-2,2'' 4,4', 4'',6,6',6''-octanitro-m-terphenyl (DDONT) and 3,3''-bis(difluoramino)-2,2',2''4,4',4'',6,6',6''-nonanitro-m-terphenyl (DDNONA). Procedures are described wherein diamino precursors of the indicated compounds are prepared and the final compounds are obtained by a fluorination operation. The compounds are highly energetic and suitable for use as explosives and particularly in exploding bridge wire (EBW) detonators. (auth)

  12. Design and discovery of a novel half-Heusler transparent hole conductor made of all-metallic heavy elements.

    PubMed

    Yan, Feng; Zhang, Xiuwen; Yu, Yonggang G; Yu, Liping; Nagaraja, Arpun; Mason, Thomas O; Zunger, Alex

    2015-01-01

    Transparent conductors combine two generally contradictory physical properties, but there are numerous applications where both functionalities are crucial. Previous searches focused on doping wide-gap metal oxides. Focusing instead on the family of 18 valence electron ternary ABX compounds that consist of elements A, B and X in 1:1:1 stoichiometry, we search theoretically for electronic structures that simultaneously lead to optical transparency while accommodating intrinsic defect structures that produce uncompensated free holes. This leads to the prediction of a stable, never before synthesized TaIrGe compound made of all-metal heavy atom compound. Laboratory synthesis then found it to be stable in the predicted crystal structure and p-type transparent conductor with a strong optical absorption peak at 3.36 eV and remarkably high hole mobility of 2,730 cm(2) V(-1) s(-1) at room temperature. This methodology opens the way to future searches of transparent conductors in unexpected chemical groups.

  13. Influence of film composition in quaternary Heusler alloy Co2(Mn,Fe)Si thin films on tunnelling magnetoresistance of Co2(Mn,Fe)Si/MgO-based magnetic tunnel junctions

    NASA Astrophysics Data System (ADS)

    Liu, Hong-xi; Kawami, Takeshi; Moges, Kidist; Uemura, Tetsuya; Yamamoto, Masafumi; Shi, Fengyuan; Voyles, Paul M.

    2015-04-01

    The influence of off-stoichiometry on the half-metallic character of quaternary Heusler alloy thin films of Co2(Mn,Fe)Si (CMFS) was investigated by studying the composition dependence of the tunnelling magnetoresistance (TMR) ratio of fully epitaxial CMFS/MgO/CMFS magnetic tunnel junctions (CMFS MTJs) having Co2(Mnα‧Feβ‧)Si0.84 electrodes with various Mn and Fe compositions. It was found that with (Mn + Fe)-rich electrodes had higher TMR ratios than ones with (Mn + Fe)-deficient electrodes at 4.2 and 290 K. These results indicate that the suppression of Co antisites at nominal Mn/Fe sites is critical to obtaining half-metallic quaternary Co2(Mn,Fe)Si in a similar way as in ternary alloy Co2MnSi. CMFS MTJs with Mn-rich and lightly Fe-doped CMFS electrodes showed giant TMR ratios of 2610% at 4.2 K and 429% at 290 K. These results suggest that Co-based Heusler alloy thin films would be highly applicable to spintronic devices because of their half-metallicity and material diversity arising from not only ternary alloy but also quaternary alloy systems.

  14. Direct observation of the electronic structure in thermoelectric half-Heusler alloys Zr{sub 1−x}M{sub x}NiSn (M = Y and Nb)

    SciTech Connect

    Hattori, Kengo; Miyazaki, Hidetoshi Yoshida, Kento; Inukai, Manabu; Nishino, Yoichi

    2015-05-28

    This study investigates the electronic and local crystal structures of the hole-doped Zr{sub 1−x}Y{sub x}NiSn and electron-doped Zr{sub 1−x}Nb{sub x}NiSn alloys using synchrotron radiation photoemission spectroscopy (SR-PES) and synchrotron radiation X-ray powder diffraction (SR-XRD) measurements, thereby clarifying the mechanisms underlying the thermoelectric performance of the p- and n-type alloys. SR-XRD analysis reveals an interstitial Ni disorder in the half-Heusler structure and the substitution of the dopant Y and Nb atoms at the Zr site. SR-PES result shows that the variation in the electronic structure of the alloys due to doping can be explained on the basis of the rigid band model. The asymmetric pseudo-gap near the Fermi level, which is rather unexpected from the band structure calculation because of the presence of the interstitial Ni disorder, could possibly be the reason underlying poor thermoelectric performance of p-type half-Heusler ZrNiSn alloys when compared with the n-type counterparts.

  15. Growth of Co2FeAl Heusler alloy thin films on Si(100) having very small Gilbert damping by Ion beam sputtering.

    PubMed

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

    2016-01-01

    The influence of growth temperature Ts (300-773 K) on the structural phase ordering, static and dynamic magnetization behaviour has been investigated in ion beam sputtered full Heusler alloy Co2FeAl (CFA) thin films on industrially important Si(100) substrate. The B2 type magnetic ordering is established in these films based on the clear observation of the (200) diffraction peak. These ion beam sputtered CFA films possess very small surface roughness of the order of subatomic dimensions (<3 Å) as determined from the fitting of XRR spectra and also by AFM imaging. This is supported by the occurrence of distinct Kiessig fringes spanning over the whole scanning range (~4°) in the x-ray reflectivity (XRR) spectra. The Gilbert damping constant α and effective magnetization 4πMeff are found to vary from 0.0053 ± 0.0002 to 0.0015 ± 0.0001 and 13.45 ± 00.03 kG to 14.03 ± 0.04 kG, respectively. These Co2FeAl films possess saturation magnetization ranging from 4.82 ± 0.09 to 5.22 ± 0.10 μB/f.u. consistent with the bulk L21-type ordering. A record low α-value of 0.0015 is obtained for Co2FeAl films deposited on Si substrate at Ts ~ 573 K. PMID:27357004

  16. Growth of Co2FeAl Heusler alloy thin films on Si(100) having very small Gilbert damping by Ion beam sputtering.

    PubMed

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

    2016-06-30

    The influence of growth temperature Ts (300-773 K) on the structural phase ordering, static and dynamic magnetization behaviour has been investigated in ion beam sputtered full Heusler alloy Co2FeAl (CFA) thin films on industrially important Si(100) substrate. The B2 type magnetic ordering is established in these films based on the clear observation of the (200) diffraction peak. These ion beam sputtered CFA films possess very small surface roughness of the order of subatomic dimensions (<3 Å) as determined from the fitting of XRR spectra and also by AFM imaging. This is supported by the occurrence of distinct Kiessig fringes spanning over the whole scanning range (~4°) in the x-ray reflectivity (XRR) spectra. The Gilbert damping constant α and effective magnetization 4πMeff are found to vary from 0.0053 ± 0.0002 to 0.0015 ± 0.0001 and 13.45 ± 00.03 kG to 14.03 ± 0.04 kG, respectively. These Co2FeAl films possess saturation magnetization ranging from 4.82 ± 0.09 to 5.22 ± 0.10 μB/f.u. consistent with the bulk L21-type ordering. A record low α-value of 0.0015 is obtained for Co2FeAl films deposited on Si substrate at Ts ~ 573 K.

  17. Growth of Co2FeAl Heusler alloy thin films on Si(100) having very small Gilbert damping by Ion beam sputtering

    NASA Astrophysics Data System (ADS)

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

    2016-06-01

    The influence of growth temperature Ts (300–773 K) on the structural phase ordering, static and dynamic magnetization behaviour has been investigated in ion beam sputtered full Heusler alloy Co2FeAl (CFA) thin films on industrially important Si(100) substrate. The B2 type magnetic ordering is established in these films based on the clear observation of the (200) diffraction peak. These ion beam sputtered CFA films possess very small surface roughness of the order of subatomic dimensions (<3 Å) as determined from the fitting of XRR spectra and also by AFM imaging. This is supported by the occurrence of distinct Kiessig fringes spanning over the whole scanning range (~4°) in the x-ray reflectivity (XRR) spectra. The Gilbert damping constant α and effective magnetization 4πMeff are found to vary from 0.0053 ± 0.0002 to 0.0015 ± 0.0001 and 13.45 ± 00.03 kG to 14.03 ± 0.04 kG, respectively. These Co2FeAl films possess saturation magnetization ranging from 4.82 ± 0.09 to 5.22 ± 0.10 μB/f.u. consistent with the bulk L21-type ordering. A record low α-value of 0.0015 is obtained for Co2FeAl films deposited on Si substrate at Ts ~ 573 K.

  18. Enhanced half-metallicity of off-stoichiometric quaternary Heusler alloy C o2(Mn ,Fe )Si investigated through saturation magnetization and tunneling magnetoresistance

    NASA Astrophysics Data System (ADS)

    Moges, Kidist; Honda, Yusuke; Liu, Hong-xi; Uemura, Tetsuya; Yamamoto, Masafumi; Miura, Yoshio; Shirai, Masafumi

    2016-04-01

    We investigated the factors that critically affect the half-metallicity of the quaternary Heusler alloy C o2(Mn ,Fe )Si (CMFS) by examining the film composition dependence of the saturation magnetization per formula unit, μs, of CMFS thin films and the tunneling magnetoresistance (TMR) ratio of CMFS/MgO/CMFS magnetic tunnel junctions (MTJs). We also investigated the origin of the giant TMR ratio of up to 2610% at 4.2 K (429% at 290 K) obtained for CMFS MTJs with Mn-rich, lightly Fe-doped CMFS electrodes. Co antisites at the nominal Mn/Fe sites (C oMn /Fe antisites) can consistently explain the μs for (Mn + Fe)-deficient CMFS thin films being lower than the half-metallic Zt-24 value and the TMR ratio for MTJs with (Mn + Fe)-deficient CMFS electrodes being lower than that for MTJs with (Mn + Fe)-rich CMFS electrodes. It was revealed that the C oMn /Fe antisite is detrimental to the half-metallicity of the CMFS quaternary alloy, as it is in the Co2MnSi (CMS) ternary alloy. It was also shown that (Mn +Fe ) -rich compositions are critical to suppressing these harmful antisites and to retaining the half-metallic electronic state. In addition, a relatively small Fe ratio, rather than a large one, in the total (Mn +Fe ) composition led to a more complete half-metallic electronic state. Half-metallicity was more strongly enhanced by increasing the Mn composition in Mn-rich, lightly Fe-doped CMFS than in Mn-rich CMS. This phenomenon is the cause of the giant TMR ratio recently reported for CMFS MTJs. Our findings indicate that the approach to controlling off-stoichiometry and film composition is promising for fully utilizing the half-metallicity of quaternary CMFS thin films as spin source materials.

  19. Growth of Co2FeAl Heusler alloy thin films on Si(100) having very small Gilbert damping by Ion beam sputtering

    PubMed Central

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

    2016-01-01

    The influence of growth temperature Ts (300–773 K) on the structural phase ordering, static and dynamic magnetization behaviour has been investigated in ion beam sputtered full Heusler alloy Co2FeAl (CFA) thin films on industrially important Si(100) substrate. The B2 type magnetic ordering is established in these films based on the clear observation of the (200) diffraction peak. These ion beam sputtered CFA films possess very small surface roughness of the order of subatomic dimensions (<3 Å) as determined from the fitting of XRR spectra and also by AFM imaging. This is supported by the occurrence of distinct Kiessig fringes spanning over the whole scanning range (~4°) in the x-ray reflectivity (XRR) spectra. The Gilbert damping constant α and effective magnetization 4πMeff are found to vary from 0.0053 ± 0.0002 to 0.0015 ± 0.0001 and 13.45 ± 00.03 kG to 14.03 ± 0.04 kG, respectively. These Co2FeAl films possess saturation magnetization ranging from 4.82 ± 0.09 to 5.22 ± 0.10 μB/f.u. consistent with the bulk L21-type ordering. A record low α-value of 0.0015 is obtained for Co2FeAl films deposited on Si substrate at Ts ~ 573 K. PMID:27357004

  20. Heart testing compound

    DOEpatents

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

    1983-06-29

    The compound 15-(p-(/sup 125/I)-iodophenyl)-6-tellurapentadecanoic acid is disclosed as a myocardial imaging agent having rapid and pronounced uptake, prolonged myocardial retention, and low in vivo deiodination.