TY  - JOUR
AU  - Lezaic, M.
AU  - Galanakis, I.
AU  - Bihlmayer, G.
AU  - Blügel, S.
TI  - Structural and magnetic properties of the (001) and (111) surfaces of the half-metal NiMnSb
JO  - Journal of physics / Condensed matter
VL  - 17
SN  - 0953-8984
CY  - Bristol
PB  - IOP Publ.
M1  - PreJuSER-45657
SP  - 3121 - 3136
PY  - 2005
N1  - Record converted from VDB: 12.11.2012
AB  - 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.
KW  - J (WoSType)
LB  - PUB:(DE-HGF)16
UR  - <Go to ISI:>//WOS:000230247000011
DO  - DOI:10.1088/0953-8984/17/21/008
UR  - https://juser.fz-juelich.de/record/45657
ER  -