Metastable cubic tin sulfide: A novel phonon-stable chiral semiconductor

Jonathan M. Skelton, Lee A. Burton, Fumiyasu Oba, Aron Walsh

Research output: Contribution to journalArticlepeer-review

48 Citations (SciVal)


SnS is a semiconductor of interest for next-generation thin-film photovoltaic devices. The ground-state phase is layered with an orthorhombic (Pnma) crystal structure. Anisotropy in the electrical properties has been linked to the low performance of SnS solar cells. These factors make a new cubic phase (π-SnS) of immense practical interest. We report the properties of the recently solved crystal structure (P213) of cubic SnS from first-principles. π-SnS is phonon stable, in contrast to the zincblende phase, and lies 2.2 kJ/mol above the ground state. It features an electronic bandgap of 1.7 eV with a chiral modulation of the band-edge states.

Original languageEnglish
Article number036101
JournalAPL Materials
Issue number3
Publication statusPublished - 1 Mar 2017


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