%0 Journal Article
%A Dederichs, P. H.
%A Galanakis, I.
%A Mavropoulos, Ph.
%T Half-metallic Alloys: Electronic Structure, Magnetism and Spin Polarisation
%J Journal of electron microscopy
%V 54
%@ 0022-0744
%C Oxford [u.a.]
%I Oxford Univ. Press
%M PreJuSER-49518
%P i53 - i56
%D 2005
%Z Record converted from VDB: 12.11.2012
%X 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%).
%K J (WoSType)
%F PUB:(DE-HGF)16
%9 Journal Article
%$ pmid:16157642
%U <Go to ISI:>//WOS:000232005200011
%R 10.1093/jmicro/54.suppl_1.i53
%U https://juser.fz-juelich.de/record/49518