Electronic structure engineering of ZnO with the modified Becke-Johnson exchange versus the classical correlation potential approaches

Phase Transitions

Volumn 86, Issue 12, 2013, Pages 1167-1177

  Ul Haq, Bakhtiar ^a   Ahmed, R ^a   Goumri Said, Souraya ^b   Shaari, A ^a   Afaq, A ^c  

^a UNIVERSITI TEKNOLOGI MALAYSIA   (Malaysia)

^b KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY   (Saudi Arabia)

^c UNIVERSITY OF THE PUNJAB   (Pakistan)

Author keywords

DFT; Electronic structure; MBJ GGA; Phase transition; Semiconductors; Zinc oxide

Indexed keywords

CLASSICAL CORRELATION; CRYSTAL-FIELD SPLITTING; DFT; FULL-POTENTIAL LINEARIZED AUGMENTED PLANE WAVES; GENERALIZED GRADIENT APPROXIMATIONS; MBJ-GGA; STRUCTURAL AND ELECTRONIC PROPERTIES; STRUCTURE ENGINEERING;

ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; ENERGY GAP; PHASE TRANSITIONS; SEMICONDUCTOR MATERIALS; ZINC SULFIDE;

ZINC OXIDE;

EID: 84890860035     PISSN: 01411594     EISSN: 10290338     Source Type: Journal    
DOI: 10.1080/01411594.2012.755183     Document Type: Article

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