Abstract
The electronic structure of the layered compound KCrSe2 in the ferromagnetic spin arrangement is calculated using the augmented-spherical-wave method. For the minority-spin direction the Fermi level lies in a 1.34-eV-wide gap between the bottom of the Cr 3d ↓ band and the Se 4p ↓ band, while for the majority-spin direction the Fermi level crosses the Cr 3d ↑ bands. This means that KCrSe2 is a half-metallic ferromagnet.
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