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cond-mat.mtrl-sci2020
Stone-Wales defects in hexagonal boron nitride as ultraviolet emitters
Hanen Hamdi, Gergő Thiering, Zoltán Bodrog +2
Many quantum emitters have been measured close or near the grain boundaries of the two-dimensional hexagonal boron nitride where various Stone-Wales defects appear. We show by mean…
cond-mat.mtrl-sci2017★ 7 cited
Hybrid-DFT+V method for accurate band structure of correlated transition metal compounds: the case of cerium dioxide
Viktor Ivády, Adam Gali, Igor A. Abrikosov
Hybrid functionals' non-local exchange-correlation potential contains a derivative discontinuity that improves on standard semi-local density functional theory (DFT) band gaps. Mor…