Abstract

The electron-energy structure of the structure of monosulfides of 3d metals is calculated using a modified LAPW + lo technique that allows for the antiferromagnetic ordering in different crystallographic layers. It is shown that the splitting of d-states of the transition metal with regard to the antiferromagnetic ordering in layers leads to a transition of VS, MnS, CoS, NiS, and FeS monosulfides in the troilite structure from metallic to semiconducting state.

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