<?xml version="1.0" encoding="UTF-8"?><xml><records><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">P.H. Dederichs</style></author><author><style face="normal" font="default" size="100%">Galanakis, I.</style></author><author><style face="normal" font="default" size="100%">P. Mavropoulos</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Half-metallic alloys: electronic structure, magnetism and spin polarization</style></title><secondary-title><style face="normal" font="default" size="100%">JOURNAL OF ELECTRON MICROSCOPY</style></secondary-title></titles><dates><year><style  face="normal" font="default" size="100%">2005</style></year><pub-dates><date><style  face="normal" font="default" size="100%">SEP</style></date></pub-dates></dates><number><style face="normal" font="default" size="100%">1</style></number><volume><style face="normal" font="default" size="100%">54</style></volume><pages><style face="normal" font="default" size="100%">I52-I55</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">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, similar to 99% for NiMnSb, but much lower for a half-metallic compound like zinc-blende MnBi (77%).</style></abstract><notes><style face="normal" font="default" size="100%">International Symposium on Creation of Novel Nanomaterials, Osaka Univ, Osaka, JAPAN, JAN 20-22, 2004</style></notes></record></records></xml>