Abstract

A theoretical investigation of the structural and electronic properties of crystalline and liquid alloys of alkali metals with group-III metals is presented. The results suggest the validity of a generalized Zintl principle assuming at least formally complete electron transfer, so that the local coordination and the electronic DOS in, e.g., LiGa alloys becomes Ge-, As-, and finally Se-like with increasing Li-concentration and hence an increasing number of electrons per Ga atom.

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