期刊
PHYSICAL REVIEW B
卷 101, 期 23, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.101.235436
关键词
-
资金
- Ministerio de Ciencia e Innovacion (Spain) [PGC2018-096955-B-C44]
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.
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