Quasiparticle band structure and exciton spectrum of hexagonal boron nitride using second‐order Møller‐Plesset many‐body perturbation theory
作者： M. Vračko , C.-M Liegener , J. Ladik
关键词: Band gap 、 Electronic band structure 、 Quasiparticle 、 Condensed matter physics 、 Perturbation theory 、 Excitation 、 Exciton 、 Møller–Plesset perturbation theory 、 Chemistry 、 Electronic correlation
摘要: Many-body perturbation theory up to second-order in the Moller-Plesset partitioning has been used calculate quasiparticle band structure of hexagonal boron nitride, treated as a periodic two-dimensional system. It was found that correlation leads an essential narrowing fundamental gap. The exciton spectrum calculated using first order irreducible vertex part with Hartree-Fock and data. binding energy amounts about 10% gap (for singlet excitation).
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