ar X iv : c on d - m at / 0 20 40 83 v 1 3 A pr 2 00 2 Surface Properties of the Half - and Full - Heusler Alloys
نویسنده
چکیده
Using a full-potential ab-initio technique I study the electronic and magnetic properties of the (001) surfaces of the half-Heusler alloys, NiMnSb, CoMnSb and PtMnSb and of the full-Heusler alloys Co 2 MnGe, Co 2 MnSi and Co 2 CrAl. The MnSb terminated surfaces of the half-Heusler compounds present properties similar to the bulk compounds and, although the half-metallicity is lost, an important spin-polarisation at the Fermi level. In contrast to this the Ni terminated surface shows an almost zero net spin-polarisation. While the bulk Co 2 MnGe and Co 2 MnSi are almost half-ferromagnetic, their surfaces lose the half-metallic character and the net spin-polarisation at the Fermi level is close to zero. Contrary to these compounds the CrAl terminated (001) surface of Co 2 CrAl shows a spin polarisation of about 84%.
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