Journal Article

PreJuSER-45657

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Structural and magnetic properties of the (001) and (111) surfaces of the half-metal NiMnSb

Lezaic, M.FZJ* ; Galanakis, I.FZJ* ; Bihlmayer, G.FZJ* ; Blügel, S.FZJ*

2005
IOP Publ. Bristol

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Please use a persistent id in citations: http://hdl.handle.net/2128/23029  doi:10.1088/0953-8984/17/21/008

Abstract: Using the full potential linearized augmented plane-wave method we study the electronic and magnetic properties of the (001) and (111) surfaces of the half-metallic Heusler alloy NiMnSb from first principles. We take into account all possible surface terminations including relaxations of these surfaces. Special attention is paid to the spin polarization at-the Fermi level which governs the spin injection from such a metal into a semiconductor. In general, these surfaces lose the half-metallic character of the bulk NiMnSb, but for the (111) surfaces this loss is more pronounced. Although structural optimization does not change these features qualitatively, specifically for the (111) surfaces relaxations can compensate much of the spin polarization at the Fermi surface that has been lost upon formation of the surface.

Keyword(s): J

Note: Record converted from VDB: 12.11.2012

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Contributing Institute(s):

1. Theorie I (IFF-TH-I)
2. Center of Nanoelectronic Systems for Information Technology (CNI)

Research Program(s):

1. Kondensierte Materie (M02)

Appears in the scientific report 2005

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Database coverage:

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