Half-Metallicity of (001) Film of Fe2CrSi

元データ 2012-03-15


On the basis of the electronic structures obtained by first-principles calculations, we have studied the half-metallicity of a (001) film of the Heusler compound Fe2CrSi, which is predicted to be a half-metallic ferromagnet in its bulk. The result shows that a film with a surface consisting of Si and Cr atoms holds a high spin polarization (nearly 100%) and that the atomic disorder between Cr and Si atoms reduces spin polarization, but that the film holds a comparatively high spin polarization of 75%. We also show that, in a film with a surface consisting of Fe atoms, spin polarization decreases drastically from that of the bulk.


Ishida Shoji Department Of Physics Faculty Of Science Kagoshima University
Asano Setsuro Institute For Solid State Physics The University Of Tokyo
Asano Setsuro Institute of Physics, College of Arts and Sciences, University of Tokyo, Meguro, Tokyo 153-0041, Japan
FUJII Shinpei Graduate School of Science and Engineering, Kagoshima University, Kagoshima 890-0065, Japan