Structural and electronic phase transitions of ThS2 from first-principles calculations

Guo, Yongliang; Wang, Changying; Qiu, Wujie; Ke, Xuezhi; Huai, Ping; Cheng, Cheng; Zhu, Zhiyuan; Chen, Changfeng

doi:10.1103/PhysRevB.94.134104

Title: Structural and electronic phase transitions of ${ThS}_{2}$ from first-principles calculations

Journal Article · Fri Oct 07 00:00:00 EDT 2016 · Physical Review B

DOI:https://doi.org/10.1103/PhysRevB.94.134104· OSTI ID:1332454

Guo, Yongliang ^[1]; Wang, Changying ^[2]; Qiu, Wujie ^[3]; Ke, Xuezhi ^[3]; Huai, Ping ^[2]; Cheng, Cheng ^[2]; Zhu, Zhiyuan ^[2]; Chen, Changfeng ^[4]

East China Normal Univ. (ECNU), Shanghai (China); Chinese Academy of Sciences (CAS), Shanghai (China)
Chinese Academy of Sciences (CAS), Shanghai (China)
East China Normal Univ. (ECNU), Shanghai (China)
Univ. of Nevada, Las Vegas, NV (United States)

Performed a systematic study using first-principles methods of the pressure-induced structural and electronic phase transitions in ThS₂, which may play an important role in the next generation nuclear energy fuel technology.

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Research Organization:: Univ. of Nevada, Las Vegas, NV (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA)

Grant/Contract Number:: NA0001982

OSTI ID:: 1332454

Alternate ID(s):: OSTI ID: 1328223

Journal Information:: Physical Review B, Vol. 94, Issue 13; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 5 works

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Title: Structural and electronic phase transitions of ${ThS}_{2}$ from first-principles calculations