Covalent bonding and the nature of band gaps in some half-Heusler compounds

Hem Chandra Kandpal, Claudia Felser, Ram Seshadri

Half-Heusler compounds \textit{XYZ}, also called semi-Heusler compounds, crystallize in the MgAgAs structure, in the space group $F\bar{4}3m$. We report a systematic examination of b…