Journal
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS
Volume 310, Issue 2, Pages 2192-2194Publisher
ELSEVIER
DOI: 10.1016/j.jmmm.2006.10.1133
Keywords
half-metal; surface; magnetism; electronic structure
Funding
- National Research Foundation of Korea [R01-2004-000-10957-0] Funding Source: Korea Institute of Science & Technology Information (KISTI), National Science & Technology Information Service (NTIS)
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The spin-polarized full potential linearized augmented plane wave (FLAPW) method in the generalized gradient approximation (GGA) is carried out for investigation on the magnetism of the zinc-blende CrP( 0 0 1) surface. We found that the Cr-terminated surface retains the half-metallic character, while the half-metallicity is destroyed for the P-terminated surface due to surface states, which originate from p electrons. The magnetic moment of Cr at the surface (sub-surface) is found to be enhanced (reduced) compared to that of the bulk-like Cr atom. (c) 2006 Elsevier B.V. All rights reserved.
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