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Correlation in Heusler compounds Co2YSi(Y=3d transition metal)

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Kandpal, H. C., Felser, C., & Fecher, G. H. (2007). Correlation in Heusler compounds Co2YSi(Y=3d transition metal). Journal of Magnetism and Magnetic Materials, 310(2), 1626-1628. doi:10.1016/j.jmmm.2006.10.481.

Ferromagnetic Co-2-based Heusler compounds have generated increasing interest over the last few years because of their peculiar electronic structure. They exhibit a band gap for the electrons of one direction and are metallic for the other. Further, they cover a very wide range of magnetic moments and Curie temperatures. Despite lot of efforts in theory and experiment to describe bulk materials and thin films, there are some marked discrepancies between observed and predicted properties of these materials. These discrepancies appear not only across but also within synthesis methods as well as in the theoretical predictions. In this contribution, the electronic structure of Co2YSi(Y = Sc, Ti; V, Cr, Mn, Fe) is discussed. In particular, the magnetic moments and the minority band gaps in these materials have been examined respecting electron-electron correlation in the calculations. (c) 2006 Elsevier B.V. All rights reserved.