期刊
JOURNAL OF MAGNETICS
卷 21, 期 1, 页码 1-5出版社
KOREAN MAGNETICS SOC
DOI: 10.4283/JMAG.2016.21.1.001
关键词
half-metal; surface magnetism; first-principles method
资金
- Inha University Research Fund
We investigated the half-metallicity and magnetism at the (001) and (110) surfaces of CsSe in cesium chloride and zinc-blende structures by using the all-electron full-potential linearized augmented plane wave method within the generalized gradient approximation. From the calculated local density of states, we found that all the surfaces preserve the half-metallicity of the bulk structures. The surfaces with a greater polarity have stronger ferromagnetic properties when terminated with Se atoms; the non-polar surfaces do not change their electronic or magnetic properties considerably as compared with the bulk structures.
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