First principles study of anti-ReO3 type Cu3N and Sc-doped Cu3N on structural, elastic and electronic properties

Computational and Theoretical Chemistry

Volumn 1018, Issue , 2013, Pages 71-76

  Chen, Huangyu ^a   Li, Xing'ao ^a   Zhao, Jinyang ^a   Wu, Zhenli ^a   Yang, Tao ^a   Ma, Yanwen ^a   Huang, Wei ^a   Yao, Kailun ^b  

^a NANJING UNIVERSITY OF POSTS AND TELECOMMUNICATIONS   (China)

^b HUAZHONG UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

Author keywords

DFT; Electronic and elastic properties; Sc doped Cu3N

Indexed keywords

EID: 84880390885     PISSN: 2210271X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.comptc.2013.06.009     Document Type: Article

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