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Title: Structural and electronic phase transitions of ThS 2 from first-principles calculations

Performed a systematic study using first-principles methods of the pressure-induced structural and electronic phase transitions in ThS 2, which may play an important role in the next generation nuclear energy fuel technology.
Authors:
 [1] ;  [2] ;  [3] ;  [3] ;  [2] ;  [2] ;  [2] ;  [4]
  1. East China Normal Univ. (ECNU), Shanghai (China); Chinese Academy of Sciences (CAS), Shanghai (China)
  2. Chinese Academy of Sciences (CAS), Shanghai (China)
  3. East China Normal Univ. (ECNU), Shanghai (China)
  4. Univ. of Nevada, Las Vegas, NV (United States)
Publication Date:
Grant/Contract Number:
NA0001982
Type:
Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 94; Journal Issue: 13; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society (APS)
Research Org:
Univ. of Nevada, Las Vegas, NV (United States)
Sponsoring Org:
USDOE National Nuclear Security Administration (NNSA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY
OSTI Identifier:
1332454
Alternate Identifier(s):
OSTI ID: 1328223

Guo, Yongliang, Wang, Changying, Qiu, Wujie, Ke, Xuezhi, Huai, Ping, Cheng, Cheng, Zhu, Zhiyuan, and Chen, Changfeng. Structural and electronic phase transitions of ThS2 from first-principles calculations. United States: N. p., Web. doi:10.1103/PhysRevB.94.134104.
Guo, Yongliang, Wang, Changying, Qiu, Wujie, Ke, Xuezhi, Huai, Ping, Cheng, Cheng, Zhu, Zhiyuan, & Chen, Changfeng. Structural and electronic phase transitions of ThS2 from first-principles calculations. United States. doi:10.1103/PhysRevB.94.134104.
Guo, Yongliang, Wang, Changying, Qiu, Wujie, Ke, Xuezhi, Huai, Ping, Cheng, Cheng, Zhu, Zhiyuan, and Chen, Changfeng. 2016. "Structural and electronic phase transitions of ThS2 from first-principles calculations". United States. doi:10.1103/PhysRevB.94.134104. https://www.osti.gov/servlets/purl/1332454.
@article{osti_1332454,
title = {Structural and electronic phase transitions of ThS2 from first-principles calculations},
author = {Guo, Yongliang and Wang, Changying and Qiu, Wujie and Ke, Xuezhi and Huai, Ping and Cheng, Cheng and Zhu, Zhiyuan and Chen, Changfeng},
abstractNote = {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.},
doi = {10.1103/PhysRevB.94.134104},
journal = {Physical Review B},
number = 13,
volume = 94,
place = {United States},
year = {2016},
month = {10}
}

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