Theoretical interpretation of the structural variations along the Eu(Zn(1-x)Ge(x))2 (0 < or = x < or = 1) series.

Abstract

The electronic structures of EuZn(2), Eu(Zn(0.75)Ge(0.25))(2), Eu(Zn(0.5)Ge(0.5))(2), Eu(Zn(0.25)Ge(0.75))(2), and EuGe(2) have been investigated using tight-binding, linear muffin-tin orbital (TB-LMTO) and pseudopotential methods to understand the structural preferences influenced by valence electron counts and to explain the observed homogeneity range of… (More)
DOI: 10.1021/ic900629t

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