First-principles study on half-metallicity at surface and interface of zinc-blende CrS/GaAs(001)

Title
First-principles study on half-metallicity at surface and interface of zinc-blende CrS/GaAs(001)
Authors
Byun, Y.; Lee, J.I.
Keywords
half-metallicity, zinc-blende CrS/GaAs(001)
Issue Date
2006-04
Publisher
AMER INST PHYSICS
Abstract
We have investigated the half-metallicity and magnetism at the surface and interface of CrS(001) on GaAs using the full-potential linearized augmented plane-wave method within the generalized gradient approximation. Two different terminations, Cr-terminated and S-terminated surfaces, have been considered. We found, from the calculated local density of states, that both of the Cr-terminated and the S-terminated surfaces retain the half-metallicity, but the band gap for the S surface is much reduced compared to that of bulk. The magnetic moment of the Cr-terminated surface (4.08 mu(B)) is enhanced much compared to the value of bulk (3.61 mu(B)) while that of the interface Cr (3.29 mu(B)) is smaller than the bulk value.
URI
http://dspace.inha.ac.kr/handle/10505/1683
ISSN
0021-8979
Appears in Collections:
College of Natural Science(자연과학대학) > Physics (물리학) > Journal Papers, Peports(물리학 학술논문, 보고서)
Files in This Item:
First-principles.pdfDownload

Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.

Browse