Electronic structure and bonding in epitaxially stabilized cubic iron silicides.

@article{Maeder1993ElectronicSA,
  title={Electronic structure and bonding in epitaxially stabilized cubic iron silicides.},
  author={Maeder and H vonK{\"a}nel and Baldereschi},
  journal={Physical review. B, Condensed matter},
  year={1993},
  volume={48 7},
  pages={
          4364-4372
        }
}
We present an ab initio full-potential linearized augmented plane-wave (FLAPW) study of the structural and electronic properties of the two bulk unstable compounds FeSi (CsCl structure) and FeSi2 (CaF2 structure) which have recently been grown by molecular beam epitaxy on Si(111). We obtain equilibrium bulk lattice constants of 2.72 u and 5.32 u for FeSi and FeSi2, respectively. The density of states (DOS) of FeSi agrees well with experiment, and shows metallic behavior. In agreement with a… 

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