Pseudopotential calculations of the valence electron densities in the simple metal Laves phases KNa2, MgZn2, CaLi2, CaMg2, and CaAl2 are presented. The results show an increased electron density due to chemical bonding effects at the centre of the tetrahedra formed by the small atoms, and between the large minority atoms, in analogy to recent experimental charge-density studies. It is shown that the variation of these characteristic features parallels the observed trends in the stability of these compounds.
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J. Häfner (1985) studied this question.
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