Surface Properties of the Half- and Full-Heusler Alloys

Details Surface Properties of the Half- and Full-Heusler Alloys Surface Properties of the Half- and Full-Heusler Alloys

2002-04-03

arxiv.org/abs/cond-mat/0204083v1

Journal of Physics: Condensed Matter 14, 6329 (2002).

Physics

Condensed Matter

14 pages, 6 figures

Scientific paper

10.1088/0953-8984/14/25/303

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%.

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