相关论文: Anharmonic effects in the optical and acoustic ben…
We investigate the scattering of long-wavelength flexural phonons against grain boundaries in graphene using molecular dynamics simulations. Three symmetric tilt grain boundaires are considered: one with a misorientation angle of…
Graphene bilayers display peculiar electronic and mechanical characteristics associated to their two-dimensional character and relative disposition of the sheets. Here we study nuclear quantum effects in graphene bilayers by using…
Rotation and reflection symmetries impose that out-of-plane (flexural) phonons of free-standing graphene membranes have a quadratic dispersion at long wavelength and can be excited by charge carriers in pairs only. As a result, we find that…
A simple model for flexural phonons in graphite (and graphene, corresponding to the limiting case of infinite distance between carbon planes) is proposed, in which the local dipolar moment is assumed to be proportional to the curvature of…
Graphene has become in last decades a paradigmatic example of two-dimensional and so-called van-der-Waals layered materials, showing large anisotropy in their physical properties. Here we study the elastic properties and mechanical…
We have investigated the anisotropic thermal expansion of graphite using ab-initio calculation of lattice dynamics and anharmonicity of the phonons, which reveal that the negative thermal expansion (NTE) in the a-b plane below 600 K and…
We study the effect exerted by the electrons on the flexural phonons in graphene, accounting for the attractive interaction created by the exchange of electron-hole excitations. Combining the self-consistent computation of the phonon…
The measured frequencies and intensities of different first- and second- order Raman peaks of suspended graphene are used to show that optical phonons and different acoustic phonon polarizations are driven out of local equilibrium inside a…
Graphene is a famous realization of elastic crystalline 2D membrane. Thermal fluctuations of a 2D membrane tend to destroy the long-range order in the system. Such fluctuations are stabilized by strong anharmonicity effects, which preserve…
We study the thermal distribution of phonons in a graphene sheet. Due to the two electronic bands there are two out-of-plane phonon modes with respect to the two sublattices. One of these modes undergoes an Ising transition by spontaneously…
The abrupt loss of mechanical stability of two-dimensional graphene-type crystals at a certain transition temperature is described. At this temperature, the graphene state with practically zero-speed bending sound and developed bending…
We study the impact of phonon anharmonicity on the electronic dynamics of soft materials using a nonperturbative quantum-classical approach. The method is applied to a one-dimensional model of doped organic semiconductors with low-frequency…
We theoretically consider the effect of plasmon collective modes on the frequency-dependent conductivity of graphene in the presence of the random static potential of charged impurities. We develop an equation of motion approach suitable…
We study the variations of electron-phonon coupling and their spectroscopic consequences in response to sliding of two layers in bilayer graphene using first-principles calculations and a model Hamiltonian. Our study shows that the long…
We have studied electron scattering by out-of-plane (flexural) phonon modes in doped suspended graphene and its effect on charge transport. In the free-standing case (absence of strain) the flexural branch shows a quadratic dispersion…
Out of plane vibrations are suppressed in graphene layers placed on a substrate. These modes, in suspended samples, are relevant for the understanding of properties such as the resistivity, the thermal expansion coefficient, and other. We…
Using the linearized Boltzmann transport equation and perturbation theory, we analyze the reduction in the intrinsic thermal conductivity of few-layer graphene sheets accounting for all possible three-phonon scattering events. Even with…
Anomalous thermal expansion behaviour of several open frame-work compounds has been extensively investigated using the techniques of inelastic neutron scattering and lattice dynamics. These compounds involve increasing level of structural…
Thermal properties of graphene display peculiar characteristics associated to the two-dimensional nature of this crystalline membrane. These properties can be changed and tuned in the presence of applied stresses, both tensile and…
Anharmonic lattice vibrations govern the thermal dynamics in materials and present how the atoms interact and how they conduct heat. An indepth understanding of the microscopic mechanism of phonon anharmonicity in condensed systems is…