TY  - JOUR
AU  - Dederichs, P. H.
AU  - Galanakis, I.
AU  - Mavropoulos, Ph.
TI  - Half-metallic Alloys: Electronic Structure, Magnetism and Spin Polarisation
JO  - Journal of electron microscopy
VL  - 54
SN  - 0022-0744
CY  - Oxford [u.a.]
PB  - Oxford Univ. Press
M1  - PreJuSER-49518
SP  - i53 - i56
PY  - 2005
N1  - Record converted from VDB: 12.11.2012
AB  - Using the state-of-the-art screened Korringa-Kohn-Rostoker Green function method we study the electronic and magnetic properties of NiMnSb and similar Heusler alloys. We show that all these compounds are half-metals, e.g. the minority-spin band is semiconducting and the Fermi level falls within this gap resulting in 100% spin polarization at the Fermi level. The total spin moment M(t) shows the so-called Slater-Pauling behaviour and scales with the total valence charge Z(t) following the rule M(t) = Z(t) - 18 for half and M(t) = Z(t) - 24 for full Heusler alloys. These rules are connected to the origin of the gap. Finally we show that the inclusion of the spin-orbit interaction in our calculations kills the half-metallic gap but the spin-polarization at the Fermi level can be still very high, approximately 99% for NiMnSb, but much lower for a half-metallic compound like zinc-blende MnBi (77%).
KW  - J (WoSType)
LB  - PUB:(DE-HGF)16
C6  - pmid:16157642
UR  - <Go to ISI:>//WOS:000232005200011
DO  - DOI:10.1093/jmicro/54.suppl_1.i53
UR  - https://juser.fz-juelich.de/record/49518
ER  -