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000049518 0247_ $$2DOI$$a10.1093/jmicro/54.suppl_1.i53
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000049518 084__ $$2WoS$$aMicroscopy
000049518 1001_ $$0P:(DE-Juel1)130612$$aDederichs, P. H.$$b0$$uFZJ
000049518 245__ $$aHalf-metallic Alloys: Electronic Structure, Magnetism and Spin Polarisation
000049518 260__ $$aOxford [u.a.]$$bOxford Univ. Press$$c2005
000049518 300__ $$ai53 - i56
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000049518 440_0 $$014743$$aJournal of Electron Microscopy$$v54$$x0022-0744$$ySuppl. 1
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000049518 520__ $$aUsing the state-of-the-art screened Korringa-Kohn-Rostoker Green function method we study the electronic and magnetic properties of NiMnSb and similar Heusler alloys. We show that all these compounds are half-metals, e.g. the minority-spin band is semiconducting and the Fermi level falls within this gap resulting in 100% spin polarization at the Fermi level. The total spin moment M(t) shows the so-called Slater-Pauling behaviour and scales with the total valence charge Z(t) following the rule M(t) = Z(t) - 18 for half and M(t) = Z(t) - 24 for full Heusler alloys. These rules are connected to the origin of the gap. Finally we show that the inclusion of the spin-orbit interaction in our calculations kills the half-metallic gap but the spin-polarization at the Fermi level can be still very high, approximately 99% for NiMnSb, but much lower for a half-metallic compound like zinc-blende MnBi (77%).
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000049518 65320 $$2Author$$ahalf-metals
000049518 65320 $$2Author$$aHeusler alloys
000049518 65320 $$2Author$$aNiMnSb
000049518 65320 $$2Author$$aspin-orbit coupling
000049518 7001_ $$0P:(DE-HGF)0$$aGalanakis, I.$$b1
000049518 7001_ $$0P:(DE-Juel1)130823$$aMavropoulos, Ph.$$b2$$uFZJ
000049518 773__ $$0PERI:(DE-600)2060573-0$$a10.1093/jmicro/54.suppl_1.i53$$gVol. 54, p. i53 - i56$$pi53 - i56$$q54<i53 - i56$$tJournal of electron microscopy$$v54$$x0022-0744$$y2005
000049518 8567_ $$uhttp://dx.doi.org/10.1093/jmicro/54.suppl_1.i53
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000049518 9141_ $$y2005
000049518 915__ $$0StatID:(DE-HGF)0010$$aJCR/ISI refereed
000049518 9201_ $$0I:(DE-Juel1)VDB30$$d31.12.2006$$gIFF$$kIFF-TH-I$$lTheorie I$$x1
000049518 9201_ $$0I:(DE-Juel1)VDB32$$d31.12.2006$$gIFF$$kIFF-TH-III$$lTheorie III$$x0
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