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The Half-metallic Properties of (001) and (110) Surfaces of CsSe from the First-principles
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  • Journal title : Journal of Magnetics
  • Volume 21, Issue 1,  2016, pp.1-5
  • Publisher : The Korean Magnetics Society
  • DOI : 10.4283/JMAG.2016.21.1.001
 Title & Authors
The Half-metallic Properties of (001) and (110) Surfaces of CsSe from the First-principles
Bialek, Beata; Lee, Jae Il;
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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.
half-metal;surface magnetism;first-principles method;
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