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In the present work, the elastic constants and derived properties of tetragonal and cubic Heusler compounds were calculated using the high accuracy of the full-potential linearized augmented plane wave (FPLAPW). To find the criteria…

材料科学 · 物理学 2020-09-03 Shu-Chun Wu , S. Shahab Naghavi , Gerhard H. Fecher , Claudia Felser

The realization of the stable structure of Heusler compounds and the study of different properties is an important step for their potential application in spintronics and magnetoelectronic devices. In this paper, using the plane-wave…

In this paper, we have focused on a comparison of the different magnetic properties of the three nano-Heusler Ru$_2$Mn$_X$ (X = Nb, Ta or V) compounds using the Blume-Capel Ising model. The Heusler structures are composed by different mixed…

软凝聚态物质 · 物理学 2021-09-07 N. Saber , Z. Fadil , A. Mhirech , B. Kabouchi , L. Bahmad , W. Ousi Benomar

We report the structural, magnetic, and magnetocaloric properties of Co$_2$Cr$_{1-x}$Ti$_x$Al ($x=$ 0--0.5) Heusler alloys for spintronic and magnetic refrigerator applications. Room temperature X-ray diffraction and neutron diffraction…

We present a comprehensive investigation of structural, magnetic and transport properties of Ni$_2$FeAl Heusler alloy nanoparticles (NPs) synthesized via template-less chemical route. The NPs exhibit high saturation magnetization of 3.02…

材料科学 · 物理学 2026-02-03 Priyanka Yadav , Mohd Zeeshan , Brajesh K. Mani , Rajendra S. Dhaka

The local structural distortions arising as a consequence of increasing Mn content in Ni_2Mn_1+xIn_1-x (x=0, 0.3, 0.4, 0.5 and 0.6) and its effect on martensitic transformation have been studied using Extended X-ray Absorption Fine…

材料科学 · 物理学 2015-05-19 D. N. Lobo , K. R. Priolkar , P. A. Bhobe , D. Krishnamurthy , S. Emura

It is shown by rigorous ab initio calculations that half-Heusler alloys of transition metals and $d^0$ metals, defined by the valence electronic configuration $ns^{1,2},(n-1)d^0$, can produce all kinds of half-metallic behavior including…

材料科学 · 物理学 2017-02-28 S. Davatolhagh , A. Dehghan

In this work, we present structural, electronic, magnetic, mechanical and transport properties of equiatomic quaternary Heusler alloy, CoRhMnGe using both theoretical and experimental techniques. A detailed structural analysis is performed…

Ab initio total energy calculations show that the antiferromagnetic (111) order is not the ground state for the ideal CuMnSb Heusler alloy in contrast to the results of neutron diffraction experiments. It is known, that Heusler alloys…

材料科学 · 物理学 2016-09-21 F. Maca , J. Kudrnovsky , V. Drchal , I. Turek , O. Stelmakhovych , P. Beran , A. Llobet , X. Marti

Neutron scattering and ultrasonic methods have been used to study the lattice dynamics of two single crystals of Ni-Mn-In Heusler alloys close to Ni$_{50}$Mn$_{34}$In$_{16}$ magnetic superelastic composition. The paper reports the…

A review of theoretical and experimental studies of the electronic structure, electronic and magnetic properties of various systems of Heusler alloys in the states of a half-metallic ferromagnet, a spin gapless semiconductor, and a…

材料科学 · 物理学 2021-11-30 V. V. Marchenkov , V. Yu. Irkhin

The structural and magnetic properties of functional Ni-Mn-Z (Z = Ga, In, Sn) Heusler alloys are studied by first-principles and Monte Carlo methods. The \textit{ab initio} calculations give a basic understanding of the underlying physics…

Recent first-principles calculations have predicted Mn$_{2}$Ni{\it X} ({\it X}=Al, Ga, In, Sn) alloys to be magnetic shape memory alloys. Moreover, experiments on Mn$_{2}$NiGa and Mn$_{2}$NiSn suggest that the alloys deviate from the…

材料科学 · 物理学 2015-06-23 Souvik Paul , Ashis Kundu , Biplab Sanyal , Subhradip Ghosh

Electronic structure calculations are used to examine the magnetic properties of Fe$_2$P-based alloys and the mechanisms through which the Curie temperature and magnetocrystalline anisotropy can be optimized for specific applications. It is…

材料科学 · 物理学 2017-10-18 I. A. Zhuravlev , V. P. Antropov , A. Vishina , M. van Schilfgaarde , K. D. Belashchenko

We have performed Density Functional Theory (DFT) based calculations to investigate the effects of stacking patterns on the electronic and magnetic properties of several Nitride MXenes. MXenes, a relatively new addition to the family of…

材料科学 · 物理学 2024-05-28 Himangshu Sekhar Sarmah , Subhradip Ghosh

In this work, results of {\it ab-initio} band structure calculations for $A_2BC$ Heusler compounds that have $A$ and $B$ sites occupied by transition metals and $C$ by a main group element are presented. This class of materials includes…

材料科学 · 物理学 2009-11-11 Hem C. Kandpal , Gerhard H. Fecher , Claudia Felser

The atomic structure, electronic structure and physical properties of $(TiZrNbCu)_{(1-x)}Ni_x$ (x $\leq$ 0.5) metallic glasses (MG) were studied in both the high-entropy (0<x<0.35) and the higher Ni concentration range (x $\geq$ 0.35).…

In this paper, we report results of the first studies on the thermoelectric power (TEP) of the magnetic heusler alloy Ni$_{2.19}$Mn$_{0.81}$Ga. We explain the observed temperature dependence of the TEP in terms of the crystal field (CF)…

强关联电子 · 物理学 2009-11-10 K. R. Priolkar , P. A. Bhobe , Shannol Dias Sapeco , Rajkumar Paudel

Using a state-of-the-art full-potential electronic structure method within the local spin density approximation, we study the electronic and magnetic structure of Mn$_2$V-based full Heusler alloys: Mn$_2$VZ (Z=Al, Ga, In, Si, Ge, and Sn).…

材料科学 · 物理学 2007-05-23 K Ozdogan , I Galanakis , E Sasioglu , B Aktas

The magnetic and thermodynamic properties of a Ni2.19Mn0.81Ga alloy with coupled magnetic and structural (martensitic) phase transitions were studied experimentally and theoretically. The magnetocaloric effect was measured by a direct…