Half-metallic ferromagnetism in C-doped zinc-blende ZnO: A first-principles study

被引：0
|
作者：
但旭 [1 ,2 ]
姚凯伦 [1 ,2 ]
高国营 [1 ]
马国强 [1 ,2 ]
机构：
[1] School of Physics and Wuhan National High Magnetic Field Center, Huazhong University of Science and Technology
[2] School of Optical and Electronic Information, Huazhong University of Science and Technology
来源：
Chinese Physics B | 2013年 / 04期
基金：
中国国家自然科学基金;
关键词：
half-metallic ferromagnetism; first-principles; electronic structure;
D O I：
暂无
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
We perform a first-principles study of electronic structure and magnetism of C-doped zinc-blende ZnO using the full-potential linearized augmented plane wave method. Results show that C-doped zinc-blende ZnO exhibits half-metallic ferromagnetism with a stable ferromagnetic ground state. The calculated magnetic moment of the 32-atom supercell containing one C dopant is 2.00 μ B , and the C dopant contributes most. The calculated low formation energy suggests that C-doped zinc-blende ZnO is energetically stable. The hole-mediated double exchange mechanism can be used to explain the ferromagnetism in C-doped zinc-blende ZnO.
引用
收藏
页码：467 / 470
页数：4
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