Phase transition mechanism and bandgap engineering of Sb2S3 at gigapascal pressures

Zhongxun Cui; Kejun Bu; Yukai Zhuang; Mary-Ellen Donnelly; Dongzhou Zhang; Philip Dalladay-Simpson; Ross T. Howie; Jiandong Zhang; Xujie Lü; Qingyang Hu

doi:10.1038/s42004-021-00565-4

Communications Chemistry (Sep 2021)

Phase transition mechanism and bandgap engineering of Sb2S3 at gigapascal pressures

Zhongxun Cui,
Kejun Bu,
Yukai Zhuang,
Mary-Ellen Donnelly,
Dongzhou Zhang,
Philip Dalladay-Simpson,
Ross T. Howie,
Jiandong Zhang,
Xujie Lü,
Qingyang Hu

Affiliations

Zhongxun Cui: Center for High Pressure Science and Technology Advanced Research
Kejun Bu: Center for High Pressure Science and Technology Advanced Research
Yukai Zhuang: Center for High Pressure Science and Technology Advanced Research
Mary-Ellen Donnelly: Center for High Pressure Science and Technology Advanced Research
Dongzhou Zhang: Hawai’i Institute of Geophysics and Planetology, School of Ocean and Earth Science and Technology, University of Hawai’i at Manoa
Philip Dalladay-Simpson: Center for High Pressure Science and Technology Advanced Research
Ross T. Howie: Center for High Pressure Science and Technology Advanced Research
Jiandong Zhang: Key Laboratory of Metallogenic Prediction of Nonferrous Metals and Geological Environment Monitor, Ministry of Education, Central South University
Xujie Lü: Center for High Pressure Science and Technology Advanced Research
Qingyang Hu: Center for High Pressure Science and Technology Advanced Research

DOI: https://doi.org/10.1038/s42004-021-00565-4
Journal volume & issue: Vol. 4, no. 1
pp. 1 – 8

Abstract

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Antimonite (Sb2S3) has potential applications for solar energy, but how its layered structure changes under pressure is incompletely understood. Here diamond anvil cell experiments supported by first principles calculations offer a structural explanation for experimentally observed phase transitions.

Published in Communications Chemistry

ISSN: 2399-3669 (Online)
Publisher: Nature Portfolio
Country of publisher: United Kingdom
LCC subjects: Science: Chemistry
Website: https://www.nature.com/commschem

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