• 文献标题:   Ab-initio study of the optical properties of the Li-intercalated graphene and MoS2
  • 文献类型:   Article
  • 作  者:   PESIC J, GAJIC R
  • 作者关键词:   graphene, optical propertie, mos2, dft
  • 出版物名称:   OPTICAL QUANTUM ELECTRONICS
  • ISSN:   0306-8919 EI 1572-817X
  • 通讯作者地址:   Univ Belgrade
  • 被引频次:   2
  • DOI:   10.1007/s11082-016-0635-6
  • 出版年:   2016

▎ 摘  要

Ab-initio calculations based on density functional theory have been performed to study the optical properties of the Li intercalated graphene and MoS2. Comparative study of imaginary part of dielectric function for the Li doped, pristine graphene monolayer and their bulk counterparts has been done. The dielectric matrix has been calculated using the Quantum Espresso software package and its postprocessing code epsilon.x. The presented results show reliable qualitative description especially for computationally inexpensive calculation.