Correlation effects on lattice relaxation and electronic structure of zno within the GGA+ U formalism

Journal of Physical Chemistry C

Volumn 117, Issue 49, 2013, Pages 26029-26039

  Ma, Xinguo ^a,b   Wu, Ying ^c   Lv, Yanhui ^b   Zhu, Yongfa ^b  

^a HUBEI UNIVERSITY OF TECHNOLOGY   (China)

^b TSINGHUA UNIVERSITY   (China)

^c University of Bath   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

CORRELATION EFFECT; COULOMB CORRECTIONS; ELECTRONIC INTERACTIONS; EXPERIMENTAL VALUES; FORMATION ENERGIES; GENERALIZED GRADIENT APPROXIMATIONS; LATTICE RELAXATION; OCTAHEDRAL SYMMETRY;

ELECTRONIC STRUCTURE; ENERGY GAP; LATTICE CONSTANTS; THREE DIMENSIONAL; ZINC;

ZINC OXIDE;

EID: 84890525700     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp407281x     Document Type: Article

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