• 文献标题:   Anharmonicity of the acoustic modes of graphene
  • 文献类型:   Article
  • 作  者:   RAMIREZ R, HERRERO CP
  • 作者关键词:  
  • 出版物名称:   PHYSICAL REVIEW B
  • ISSN:   2469-9950 EI 2469-9969
  • 通讯作者地址:   CSIC
  • 被引频次:   0
  • DOI:   10.1103/PhysRevB.101.235436
  • 出版年:   2020

▎ 摘  要

The anharmonicity of the acoustic phonon dispersion of graphene has been studied by the harmonic linear response (HLR) approach at finite temperature. This is a nonperturbative method based on the linear response of the system to applied forces, as derived from equilibrium computer simulations. Anharmonic shifts are analyzed in the long-wavelength limit at room temperature, with emphasis on the effect of applied tensile or compressive in-plane stress. The simulation results are compared with available analytical models, based either on first-order perturbation theory or on a description by anomalous exponents. The simulations show better agreement to the expectations of the perturbational approach. The effect of temperature and zero-point vibrations on the acoustic out-of-plane anharmonic shifts of graphene are briefly reviewed.