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The electronic and magnetic properties of transition-metal doped $\beta$-Ge3N4 have been studied using first-principles calculations. The results show that the substitutional transition-metal impurities tend to cluster. The V and Cr doped…

Materials Science · Physics 2015-05-18 Sheng-Li Zhang , Wei Wang , Er-Hu Zhang

Half-metallic antiferromagnets are the ideal materials for spintronic applications since their zero magnetization leads to lower stray fields and thus tiny energy losses. Starting from the Mn$_2$VAl and Mn$_2$VSi alloys we substitute Co or…

Materials Science · Physics 2007-09-01 I. Galanakis , K. Ozdogan , E. Sasioglu , B. Aktas

Using first principles calculations as based on density functional theory, we propose a class of so far unexplored diluted ferromagnetic semiconductors and half-metals. Here, we study the electronic properties of recently synthesized $ 4d $…

Materials Science · Physics 2015-05-27 Abdesalem Houari , Samir F. Matar , Volker Eyert

Half-metallic Heusler alloys are among the most promising materials for future applications in spintronic devices. Although most Heusler alloys are ferromagnets, ferrimagnetic or antiferromagnetic (also called fully-compensated…

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

Diluted magnetic semiconductors (DMSs), in which magnetic elements are substituted for a small fraction of host elements in a semiconductor lattice, can become ferromagnetic when doped. In this article we discuss the physics of DMS…

Materials Science · Physics 2009-11-07 Byounghak Lee , T. Jungwirth , A. H. MacDonald

We propose a concept of half-semiconductor antiferromagnets in which both spin-polarized valence and conduction bands belong to the same spin channel with completely compensated spontaneous magnetization. Using density functional theory…

Materials Science · Physics 2013-08-26 Junjie He , P. Zhou , N. Jiao , L. Z. Sun , Xiaoshuang Chen , Wei Lu

Magnetic semiconductors have attracted interest because of the question of how a magnetic metal can be derived from a paramagnetic insulator. Here our approach is to carrier dope insulating FeSi and we show that the magnetic half-metal…

Strongly Correlated Electrons · Physics 2007-05-23 F. P. Mena , J. F. DiTusa , D. van der Marel , G. Aeppli , D. P Young , C. Presura , A. Damascelli , J. A. Mydosh

II-oxide and III-nitride semiconductors doped by nonmagnetic 2p light elements are investigated as potential dilute magnetic semiconductors (DMS). Based on our first-principle calculations, nitrogen doped ZnO, carbon doped ZnO, and carbon…

Materials Science · Physics 2013-05-29 L. Shen , R. Q. Wu , H. Pan , G. W. Peng , M. Yang , Z. D. Sha , Y. P. Feng

In this paper we review the latest achievements of density functional theory in understanding the physics of diluted magnetic semiconductors. We focus on transition metal doped III-V semiconductors, which show spontaneous ferromagnetic…

Materials Science · Physics 2007-05-23 S. Sanvito , G. Theurich , N. A. Hill

Recently theoretical works predict that some semiconductors (e.g. ZnO) doped with magnetic ions are diluted magnetic semiconductors (DMS). In DMS magnetic ions substitute cation sites of the host semiconductor and are coupled by free…

Materials Science · Physics 2009-07-22 Shengqiang Zhou , K. Potzger , Qingyu Xu , G. Talut , M. Lorenz , W. Skorupa , M. Helm , J. Fassbender , M. Grundmann , H. Schmidt

The electronic structures of Fe-doped III-V semiconductors were studied by first-principles supercell calculation. It was found that their electronic structures are basically the same as those of Mn-doped ones except that the extra electron…

Strongly Correlated Electrons · Physics 2019-11-11 Shoya Sakamoto , Atsushi Fujimori

This paper reviews the present understanding of the origin of ferromagnetic response of diluted magnetic semiconductors and diluted magnetic oxides as well as in some nominally magnetically undoped materials. It is argued that these systems…

Materials Science · Physics 2009-11-13 Tomasz Dietl

Half-Heusler compounds with 18 valence electrons are semi-conducting. It will be shown that doping with electrons results in half-metallic ferromagnets, similar to the case of diluted semi-conductors. CoTiSb is known to be a semi-conducting…

Materials Science · Physics 2013-08-08 Benjamin Balke , Kristian Kroth , Gerhard H. Fecher , Claudia Felser

A ternary ferrimagnetic half-metal, constructed through substituting 25% Fe for Mn in zincblende semiconductor MnTe, is predicted in terms of accurate first-principles calculations. It has a large half-metallic (HM) gap of 0.54eV and its…

Materials Science · Physics 2009-04-10 Li-Fang Zhu , Bang-Gui Liu

Diluted magnetic semiconductors (DMS) are interesting because of the interplay between the electronic and magnetic subsystems. We describe selected magnetic properties of IV-VI diluted magnetic semiconductors, looking at the similarities…

Materials Science · Physics 2023-08-04 M. Górska , Ł. Kilański , A. Łusakowski

First-principles calculations and a tight-binding analysis predict that the iron-pnictide BaCrFeAs2 is a promising candidate for half-metallic material with fully-compensated magnetization. The transition-metal ions Cr and Fe prefer the…

Materials Science · Physics 2010-07-20 Shu-Jun Hu , Xiao Hu

Two-dimensional dilute magnetic semiconductors can provide fundamental insights in the very nature of magnetic orders and their manipulation through electron and hole doping. Despite the fundamental physics, due to the large charge density…

Materials Science · Physics 2015-09-07 L. Seixas , A. Carvalho , A. H. Castro Neto

The rapidly developing field of ferromagnetism in diluted magnetic semiconductors, where a semiconductor host is magnetically doped by transition metal impurities to produce a ferromagnetic semiconductor (e.g. Ga_{1-x}Mn_xAs with x ~ 1-10…

Materials Science · Physics 2009-11-10 S. Das Sarma , E. H. Hwang , A. Kaminski

Half-metallic ferromagnetism (HMFM) occurs rarely in materials and yet offers great potential for spintronic devices. Recent experiments suggest a class of compounds with the `ThCr$_{2}$Si$_{2}$' (122) structure -- isostructural and…

Materials Science · Physics 2020-08-18 Sinead M. Griffin , Jeffrey B. Neaton

The current status and prospects of research on ferromagnetism in semiconductors are reviewed. The question of the origin of ferromagnetism in europium chalcogenides, chromium spinels and, particularly, in diluted magnetic semiconductors is…

Materials Science · Physics 2009-11-07 Tomasz Dietl
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