First-order transition between a small-gap semiconductor and a ferromagnetic metal in the isoelectronic alloys FeSi${}_{1-x}$Ge${}_x$

V. I. Anisimov, R. Hlubina, M. A. Korotin +4

The contrasting groundstates of isoelectronic and isostructural FeSi and FeGe can be explained within an extended local density approximation scheme (LDA+U) by an appropriate choic…