Effect of Small Pt Doping on the Electronic Structure of NiMnSb Half-Heusler Alloys
M. Pugaczowa-Michalska
Institute of Molecular Physics, Polish Academy of Science, Smoluchowskiego 17, 60-179 Poznań, Poland
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Received: September 17, 2002; in final form February 10, 2003
The effect of small Pt doping on the electronic and magnetic properties of NiMnSb compound were studied using the spin-polarised tight-binding linear muffin-tin orbital method. The electronic structure of half-Heusler alloys depends on the relative arrangement of the atoms in the unit cell, changing from half-metal to metal. The local ordering drastically influences the value of the band gap. The self-consistent band calculations were performed for the experimental lattice constant and for the lattice parameter estimated from the minimum of the total energy.
DOI: 10.12693/APhysPolA.103.393
PACS numbers: 71.20.--b, 71.20.Be, 75.50.--y