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Strong excitonic effects in hydrogen–graphene–fluorine janus graphene
Author(s) -
Aggoune W.,
Rezouali K.,
Belkhir M. A.
Publication year - 2016
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.201552431
Subject(s) - graphene , janus , exciton , band gap , bethe–salpeter equation , excited state , radiative transfer , gw approximation , materials science , electron , binding energy , density functional theory , molecular physics , condensed matter physics , atomic physics , physics , bound state , nanotechnology , optoelectronics , quantum mechanics , quasiparticle , superconductivity
Abstractauthoren We present a first‐principles many‐body Green's function method ( GW approximation and Bethe–Salpeter equation) of the electronic and optical properties of recently predicted hydrogen–graphene–fluorine janus graphene. Significant self‐energy corrections, of more than 50 % , to the Kohn–Sham bandgap from the local density approximation (LDA) calculations are found. Moreover, the optical absorption spectrum of this janus graphene is dominated by enhanced excitonic effects with formation of a bound exciton with considerable binding energy. The reduced spatial separation of excited electrons and holes gives rise to extremely short radiative lifetimes, preventing condensation.