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Empirical Optimization of DFT + U and HSE for the Band Structure of ZnO

Keshab Bashyal, Christopher K. Pyles,Sajjad Afroosheh,Aneer Lamichhane,Alexey T. Zayak

Journal of Physics Condensed Matter(2018)

Cited 39|Views3
Key words
ZnO,band gap,DFT plus U,hybrid functionals,HSE,XPS
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