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

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

Research output: Contribution to journalArticle

24 Citations (Scopus)

Abstract

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
Volume5
Issue number3
DOIs
Publication statusPublished - 1 Mar 2017

Fingerprint Dive into the research topics of 'Metastable cubic tin sulfide: A novel phonon-stable chiral semiconductor'. Together they form a unique fingerprint.

  • Datasets

    Data for "Metastable cubic tin sulfide: a novel phonon-stable chiral semiconductor"

    Skelton, J. (Creator), Burton, L. (Data Collector), Oba, F. (Project Member) & Walsh, A. (Project Leader), University of Bath, 2017

    Dataset

    Equipment

  • Cite this

    Skelton, J. M., Burton, L. A., Oba, F., & Walsh, A. (2017). Metastable cubic tin sulfide: A novel phonon-stable chiral semiconductor. APL Materials, 5(3), [036101]. https://doi.org/10.1063/1.4977868