• 文献标题:   Strong excitonic effects in hydrogen-graphene-fluorine janus graphene
  • 文献类型:   Article
  • 作  者:   AGGOUNE W, REZOUALI K, BELKHIR MA
  • 作者关键词:   computational physic, density functional theory, exciton, graphene, optical absorption
  • 出版物名称:   PHYSICA STATUS SOLIDI BBASIC SOLID STATE PHYSICS
  • ISSN:   0370-1972 EI 1521-3951
  • 通讯作者地址:   Univ Bejaia
  • 被引频次:   2
  • DOI:   10.1002/pssb.201552431
  • 出版年:   2016

▎ 摘  要

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.