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Spin gapless semiconductors (SGS) form a new class of magnetic semiconductors, which has a band gap for one spin sub band and zero band gap for the other, and thus are useful for tunable spin transport based applications. In this paper, we…

In this paper, we report the theoretical investigation and experimental realization of a new spin-gapless semiconductor (SGSs) compound CoFeMnSn belonging to the family of quaternary Heusler alloys. Through the use of several ground-state…

Strongly Correlated Electrons · Physics 2024-04-09 Shuvankar Gupta , Jyotirmoy Sau , Manoranjan Kumar , Chandan Mazumdar

Intermetallic compounds with sizable band gaps are attractive for their unusual properties but rare. Here, we present a new family of stable semiconducting quaternary Heusler compounds, designed and discovered by means of high-throughput…

Materials Science · Physics 2018-02-15 Jiangang He , S. Shahab Naghavi , Vinay I. Hegde , Maximilian Amsler , Chris Wolverton

Despite a plethora of materials suggested for spintronic applications, a new class of materials has emerged, namely spin gapless semiconductors (SGS), that offers potentially more advantageous properties than existing ones. These magnetic…

We employ ab-initio electronic structure calculations to search for spin gapless semiconductors, a recently identified new class of materials, among the inverse Heusler compounds. The occurrence of this property is not accompanied by a…

Materials Science · Physics 2015-06-11 S. Skaftouros , K. Ozdogan , E. Sasioglu , I. Galanakis

In this letter, we investigate the magnetic properties, electronic structures, Slater-Pauling behaviours of some quanternary Heusler alloys with 4d and 3d transition metal elements. The energy levels of the minority-spin electronic band…

Materials Science · Physics 2015-01-19 Qiang Gao , Huan-Huan Xie , Lei Li , Gang Lei , Ke Wang , Jian-Bo Deng , Xian-Ru Hu

We review the electronic and magnetic properties of the quinternary full Heusler alloys of the type Co$_2$[Cr$_{1-x}$Mn$_x$][Al$_{1-y}$Si$_y$] employing three different approaches : (i) the coherent potential approximation (CPA), (ii) the…

Materials Science · Physics 2015-05-13 K. Ozdogan , E. Sasioglu , I. Galanakis

Based on high throughput density functional theory calculations, we performed systematic screening for spin-gapless semiconductors (SGSs) in quaternary Heusler alloys XX 0 YZ (X, X 0 , and Y are transition metal elements without Tc, and Z…

Materials Science · Physics 2019-03-06 Qiang Gao , Ingo Opahle , Hongbin Zhang

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 understand the electronic structure of…

Materials Science · Physics 2008-01-13 Frederick Casper , Claudia Felser , Ram Seshadri , C. Peter Sebastian , Rainer Poettgen

The review considers various groups of Heusler compounds, which can have the properties of a semiconductor, a half-metallic ferromagnet, a spin gapless semiconductor, a topological semimetal, and a noncollinear antiferromagnet. In these…

Materials Science · Physics 2022-09-01 V. V. Marchenkov , V. Yu. Irkhin , A. A. Semiannikova

Parameters of the energy gap and, consequently, electronic, magnetic and galvanomagnetic properties in different X$_2$YZ Heusler alloys can vary quite strongly. In particular, half-metallic ferromagnets (HMFs) and spin gapless…

We present first-principles density functional calculations of the electronic structure, magnetism, and structural stability of 378 $\textit{XYZ}$ half-Heusler compounds (with $X=$ Cr, Mn, Fe, Co, Ni, Ru, Rh, $Y=$ Ti, V, Cr, Mn, Fe, Ni,…

We investigate the electronic structure and magnetism of half-Heusler compounds XYZ (X, Y=V, Cr, Mn, Fe, Co and Ni; Z=Al, Ga, In, Si, Ge, Sn, P, As, and Sb) using the ab initio density functional theory calculations. Nine half-metals with…

Materials Science · Physics 2014-02-19 L. Feng , E. K. Liu , W. X. Zhang , W. H. Wang , G. H. Wu

Intermetallic Heusler alloys are amongst the most attractive half-metallic systems due to the high Curie temperatures and the structural similarity to the binary semiconductors. In this review we present an overview of the basic electronic…

Materials Science · Physics 2007-05-23 I. Galanakis , Ph. Mavropoulos , P. H. Dederichs

Heusler compounds offer potential as spintronic devices due to their spin-polarization and half-metallicity properties, where electron spin-majority (minority) manifold exhibits states (band gap) at the electronic chemical potential,…

Materials Science · Physics 2016-11-15 Enamullah , D. D. Johnson , K. G. Suresh , Aftab Alam

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…

Materials Science · Physics 2021-11-30 V. V. Marchenkov , V. Yu. Irkhin

Spin gapless semiconductors based Heusler alloys are the special class of materials due to their unique band structure, high spin polarization and high Curie temperature. These materials exhibit a distinct electronic structure: a nonzero…

A brief survey of experimental and theoretical studies of half-metallic ferromagnets (HMFs) and spin gapless semiconductors is given, the possible candidates being the X$_2$YZ (X = Mn, Fe, Co; Y = Ti, V, Cr, Mn, Fe, Co, Ni; Z = Al, Si, Ga,…

Materials Science · Physics 2019-12-24 V. V. Marchenkov , V. Yu. Irkhin , Yu. A. Perevozchikova

Half-Heusler compounds \textit{XYZ}, also called semi-Heusler compounds, crystallize in the MgAgAs structure, in the space group $F\bar43m$. We report a systematic examination of band gaps and the nature (covalent or ionic) of bonding in…

Materials Science · Physics 2007-05-23 Hem Chandra Kandpal , Claudia Felser , Ram Seshadri

We investigate the electronic structure and magnetic properties of four quaternary Heusler alloys ZrMnVZ and ZrCoFeZ (Z=Si, Ge) by using first-principle calculations. It is shown that ZrMnVSi, ZrMnVGe and ZrCoFeSi are half-metallic…

Materials Science · Physics 2015-01-06 Huan-Huan Xie , Qiang Gao , Lei Li , Gang Lei , Ge-Yong Mao , Jian-Bo Deng
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