Tunability of the bandgap of SnS by variation of the cell volume by alloying with A.E. elements.

ABSTRACT: We clarified that the bandgap of inorganic materials is strongly correlated with their effective coordination number (ECoN) via first-principles calculations and experimental confirmations. Tin mono-sulphide (Pnma) and germanium mono-sulphide (Pnma) were selected as model cases since these materials successively alter the ECoN as the cell volume changes and show an uncommon relationship between cell volume and bandgap. Contrary to the common semiconductors, the bandgaps of SnS (Pnma) and GeS (Pnma) have a positive relationship with respect to cell volume. This unique phenomenon was explained by incorporating the concept of ECoN into the theoretical studies. The theory proposed in this study is widely applicable to semiconductors with low-symmetry structures. Further, we experimentally demo

SUBMITTER: Kawamura F 

PROVIDER: S-EPMC9076691 | biostudies-literature | 2022 May

REPOSITORIES: biostudies-literature