• 文献标题:   Electronic optical, properties and widening band gap of graphene with Ge doping
  • 文献类型:   Article
  • 作  者:   OULD NE ML, ABBASSI A, EL HACHIMI AG, BENYOUSSEF A, EZZAHRAOUY H, EL KENZ A
  • 作者关键词:   graphene doped, abinitio calculation, wien2k, electronic structure, optical propertie
  • 出版物名称:   OPTICAL QUANTUM ELECTRONICS
  • ISSN:   0306-8919 EI 1572-817X
  • 通讯作者地址:   Univ Mohammed 5
  • 被引频次:   8
  • DOI:   10.1007/s11082-017-1024-5
  • 出版年:   2017

▎ 摘  要

The Density Functional Theory with full potential linearized augmented plane wave uses to study the pure graphene and doped with different amounts of Germanium (5.55, 8.33, and 12.5%). It uses also Generalized Gradient Approximation and Tran-Blaha modified Becke-Johnson formalism to investigate their electronic and optical properties. Furthermore, it utilizes Germanium is able to open band gap due to the p-states of Ge, which are in hybridization with p-states of Carbon. Germanium concentration decreasing or increasing can control the band gap opening of graphene system. The optical absorption increases in the ultraviolet range, due to the important absorption that contains germanium above 150 nm.