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Searching for hexagonal analogues of the half-metallic half-Heusler<i>XYZ</i>compounds
The XYZ half-Heusler crystal structure can conveniently be described as a tetrahedral zinc blende YZ structure which is stuffed by a slightly ionic X species. This description is well suited to understanding the electronic structure of semiconducting 8-electron compounds such as LiAlSi (formulated Li+[AlSi]−) or semiconducting 18-electron compounds such as …