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The Half-metallic Properties of (001) and (110) Surfaces of CsSe from the First-principles |
Journal of Magnetics, Volume 21, Number 1, 31 Mar 2016, Pages 1-5 |
Beata Bialek (Department of Physics, Inha University), Jae Il Lee * (Department of Physics, Inha University) |
Abstract |
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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Keywords: half-metal; surface magnetism; first-principles method |
DOI: http://dx.doi.org/10.4283/JMAG.2016.21.1.001 |
Full Text: PDF |
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