An ab initio study on the transition paths from graphite to diamond under pressure

Journal of Physics Condensed Matter

Volumn 25, Issue 14, 2013, Pages

  Dong, Xiao ^a   Zhou, Xiang Feng ^a   Qian, Guang Rui ^b   Zhao, Zhisheng ^c   Tian, Yongjun ^c   Wang, Hui Tian ^a,b  

^a NANKAI UNIVERSITY   (China)

^b NANJING UNIVERSITY   (China)

^c YANSHAN UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

A TRANSITIONS; AB INITIO STUDY; BONDING CONFIGURATIONS; HEXAGONAL DIAMOND; LOWER ENERGY BARRIERS; NUDGED ELASTIC BAND METHODS; TRANSITION PATHS; TRANSITION STATE;

DIAMONDS; ELECTRONIC STRUCTURE;

GRAPHITE;

EID: 84875141913     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/25/14/145402     Document Type: Article

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