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This content will become publicly available on October 7, 2017

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

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.
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:
OSTI Identifier:
1332454
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