• 文献标题:   The Vanadium effect on the electronic and optical properties of Ti3C2 graphene like: Based DFT
  • 文献类型:   Article
  • 作  者:   MOHRDARGHAEMMAGHAMI BS, BOOCHANI A, ELAHI SM, KHOSRAVI H
  • 作者关键词:   ti3c2:v graphene like, electronic property, optical property, dft
  • 出版物名称:   RESULTS IN PHYSICS
  • ISSN:   2211-3797
  • 通讯作者地址:   Islamic Azad Univ
  • 被引频次:   2
  • DOI:   10.1016/j.rinp.2018.02.005
  • 出版年:   2018

▎ 摘  要

A first principles study of the electronic and optical properties of the Vanadium impurity on the Ti3C2 graphene like has been done in the framework of density functional theory to calculate the density of states, Bandstructure and optical coefficients spectra. Results inferred to the metallic behavior for Ti3C2:V graphene like. Adding the V impurity caused the energy loss has a red shift and the dielectric function show lower metallic behavior and the reflection index is shifted to one in the lower energy. Also, for the two cases we have anisotropy for the x and z direction. (C) 2018 The Authors. Published by Elsevier B.V.