• 文献标题:   Graphene band structure and its 2D Raman mode
  • 文献类型:   Article
  • 作  者:   NARULA R, REICH S
  • 作者关键词:  
  • 出版物名称:   PHYSICAL REVIEW B
  • ISSN:   1098-0121 EI 1550-235X
  • 通讯作者地址:   Free Univ Berlin
  • 被引频次:   4
  • DOI:   10.1103/PhysRevB.90.085407
  • 出版年:   2014

▎ 摘  要

High-precision simulations are used to generate the 2D Raman mode of graphene under a range of screening conditions and laser energies EL. We reproduce the decreasing trend of the 2D mode FWHM vs EL and the nearly linearly increasing dispersion..2D/. EL seen experimentally in freestanding (unscreened) graphene, and propose relations between these experimentally accessible quantities and the local, two-dimensional gradients |.| of the electronic and TO phonon bands. In light of state-of-the-art electronic structure calculations that acutely treat the long-range e-e interactions of isolated graphene and its experimentally observed 2D Raman mode, our calculations determine a 40% greater slope of the TO phonons about K than given by explicit phonon measurements performed in graphite or GW phonon calculations in graphene. We also deduce the variation of the broadening energy. [EL] for freestanding graphene and find a nominal value. 140 meV, showing a gradually increasing trend for the range of frequencies available experimentally.