Surface Properties of the Half- and Full-Heusler Alloys

I. Galanakis

doi:10.1088/0953-8984/14/25/303

paper

Surface Properties of the Half- and Full-Heusler Alloys

arXiv:cond-mat/0204083 · doi:10.1088/0953-8984/14/25/303

Abstract

Using a full-potential \textit{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%.

14 pages, 6 figures

Surface Properties of the Half- and Full-Heusler Alloys

Abstract

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