Structure and Bonding in Cubic IV–VI Crystals. IV. Evidence for Covalent Bonding in the IV–VI Family from the Extended Mulliken Scheme

Abstract

The investigation of IV-VI compounds within the framework of the Mulliken scheme for atomic electronegativities extended recently by Watson et al. gives support for a predominantly covalent bonding character in these materials from atomic properties, too. Here, mono-and dichalcogenides and -oxides as well as solid solutions are considered. Die Untersuchung yon IV-VI-Verbindungen im Rahmen des unlangst von Watson et al. erweiterten Mulliken-Schemas fur atomare Elektronegativititen resultiert in vorwiegend kovalentemBindungscharakter in diesen Materialien auch auf der Grundlage atomarer Eigenschaften. Es werden Mono-und Dichalkogenide und -oxide sowie feste Losungen betrachtet.

Bonding diversity in rock salt-type tellurides: examining the interdependence between chemical bonding and materials properties

“…The small degree of charge transfer that is in good agreement with previous research 75,76 on narrow-band-gap IV-VI semiconductors indicates a minor role of polar (or even ionic) bonding in SnTe. As said before, most bonding results from interacting Sn-5p and Te-5p atomic orbitals, despite characteristic antibonding below E F where Sn-5s also mixes in.…”