Quasiparticle band structure, spectral weights and degree ofd-electron localization in iron silicides
نویسندگان
چکیده
منابع مشابه
Electronic structure and bonding in epitaxially stabilized cubic iron silicides.
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 Å and 5.32 Å for FeSi and FeSi2, respectively. The density of ...
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ژورنال
عنوان ژورنال: Acta Crystallographica Section A Foundations and Advances
سال: 2015
ISSN: 2053-2733
DOI: 10.1107/s2053273315094590