Electronic structure and optical properties of boron-sulfur symmetric codoping in 4 × 4 graphene systems
1 State Key Laboratory of Information
Photonics and Optical Communications, Ministry of Education, Beijing University of
Posts and Telecommunications, P.O.
Box 72, Beijing
2 Beijing Applied Physics and Computational Mathematics, Beijing 100088, P.R. China
Received in final form: 13 April 2015
Published online: 8 June 2015
The electronic structure and optical properties of boron-doped, sulfur-doped, and boron-sulfur-codoped graphene systems have been studied by using first-principles calculations. Energy band structure and density of states are presented to describe the electronic properties. The doping can open the band gap and change the optical properties of graphene. For all optical properties of doped graphene systems, parallel (E∥) polarization and perpendicular (E⊥) polarization are presented. The optical properties under two kinds of polarizations are reflected in the range of peak height and the change of some extraordinary features.
Key words: Solid State and Materials
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag, 2015