Spin polarization in wurtzite Zn1-xCrxS from first principles

被引：6

作者：

Lakdja, Abdelaziz ^{[1
]}

Mesri, Dalila ^{[1
]}

Rozale, Habib ^{[1
]}

Chahed, Abbes ^{[1
]}

Ruterana, Pierre ^{[2
]}

机构：

[1] Univ Djillali Liabes Sidi Bel Abbes, Dept Phys, Condensed Matter & Sustainable Dev Lab, Sidi Bel Abbes 22000, Algeria

[2] CNRS ENSICAEN CEA UCBN, CIMAP, F-14050 Caen, France

来源：

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS | 2012年 / 249卷 / 11期

关键词：

density functional theory; dilute magnetic semiconductors; exchange interaction; half-metallic ferromagnets; ZnCrS; PLANE-WAVE METHOD; FERROMAGNETISM; SUPEREXCHANGE; MAGNETISM; BEHAVIOR;

D O I：

10.1002/pssb.201248266

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

We report a first-principles investigation of the electronic and magnetic properties of wurtzite Zn1-xCrxS alloy. Results on total energy calculations exhibit a ferromagnetic (FM) state at low Cr concentration of 25%, while for high concentration the compound has an antiferromagnetic ordering. We focused on the exchange interactions induced by the partially filled bands of the 3d Cr, which govern the magnetic properties in such material.

引用

页码：2222 / 2226

页数：5

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