Half-metallic ferromagnetism in wurtzite MC (M = Ca, Sr, Ba and Mg)

被引：33

作者：

Zhang, Chang-wen ^{[1
]}

Yan, Shi-shen ^{[2
]}

机构：

[1] Univ Jinan, Sch Sci, Jinan 250022, Peoples R China

[2] Shandong Univ, Sch Phys & Microelect, Jinan 250100, Peoples R China

来源：

SOLID STATE COMMUNICATIONS | 2009年 / 149卷 / 9-10期

关键词：

Electronic structure; Half-metallic ferromagnetism; First-principles calculation; MOLECULAR-BEAM EPITAXY; ROOM-TEMPERATURE;

D O I：

10.1016/j.ssc.2008.12.012

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The first-principles full-potential linearized augmented plane-wave method within density-functional theory is used to investigate electronic structure and magnetism of wurtzite (WZ) crystal structure MC (M = Ca, Sr, Ba and Mg). It is shown that the WZ CaC, SrC and BaC are half-metallic ferromagnets with a magnetic moment of 2 mu(B) per formula unit, whereas MgC shows the metallic character. The half-metallicity is also found to be robust with respect to the lattice compression and is maintained up to the lattice constant contraction of 12%, 21%, and 8% for WZ CaC, SrC and BaC, respectively. The large HM gaps (0.54-0.81 eV) and robustness of half-metallicity with respect to the lattice change make these materials possible candidates for spin injection in spintronic devices. (C) 2008 Elsevier Ltd. All rights reserved.

引用

页码：387 / 392

页数：6

共 26 条

[1] Material design of half-metallic zinc-blende CrAs and the synthesis by molecular-beam epitaxy [J].