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Electronic and optical properties of the hydrogen boride sheet from the many-body perturbation theory
Luong Thi Ta1,2, Yoshitada Morikawa1,3, Ikutaro Hamada1
1Department of Precision Engineering, Graduate School of Engineering, Osaka University, 2-1, Yamadaoka, Suita, Osaka 565-0871, Japan.
Abstract:
We study the electronic and optical properties of the hydrogen boride sheet by using the many-body perturbation theory with the perturbativeGW(G0W0) approximation. It was found that the hydrogen boride sheet shows a semimetallic electronic structure, supporting the previous theoretical study based on the semilocal density functional theory calculations. It was also found that the optical spectrum calculated based on the quasiparticle energies agrees well with the experiments. This work suggests thatG0W0approximation may be useful for predicting precise electronic and optical properties of the hydrogen boride sheet and its derivatives.
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