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

15 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.

LanguageEnglish
Article number036101
JournalAPL Materials
Volume5
Issue number3
DOIs
StatusPublished - 1 Mar 2017

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Ground state
Tin
Crystal structure
Semiconductor materials
Solar cells
Electric properties
Energy gap
Anisotropy
Modulation
Thin films
Sulfides
tin sulfide

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

Metastable cubic tin sulfide : A novel phonon-stable chiral semiconductor. / Skelton, Jonathan M.; Burton, Lee A.; Oba, Fumiyasu; Walsh, Aron.

In: APL Materials, Vol. 5, No. 3, 036101, 01.03.2017.

Research output: Contribution to journalArticle

Skelton, Jonathan M. ; Burton, Lee A. ; Oba, Fumiyasu ; Walsh, Aron. / Metastable cubic tin sulfide : A novel phonon-stable chiral semiconductor. In: APL Materials. 2017 ; Vol. 5, No. 3.
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