Related papers: Thermal rectification and phonon properties in par…
An accurate description of the scalar potential at finite temperature is crucial for studying cosmological first-order phase transitions (FOPT) in the early Universe. At finite temperatures, a precise treatment of thermal resummations is…
Thermal properties in the metal/graphene (Gr) systems are analyzed by using an atomistic phonon transport model based on Landauer formalism and first-principles calculations. The specific structures under investigation include chemisorbed…
We study the characteristics of photogenerated electron-hole plasma in optically pumped graphene layers at elevated (room) temperatures when the interband and intraband processes of emission and absorption of optical phonons play a crucial…
The optical properties of dielectric plates coated with gapped graphene are investigated on the basis of first principles of quantum electrodynamics. The reflection coefficients and reflectivities of graphene-coated plates are expressed in…
The in-plane phonon-drag thermopower $S^g$, diffusion thermopower $S^d$ and the power factor $PF$ are theoretically investigated in twisted bilayer graphene (tBLG) as a function of twist angle $\theta$, temperature $T$ and electron density…
In this paper, the effect of B and N doping on the phonon induced thermal conductivity of graphene has been investigated. This study is important when one has to evaluate the usefulness of electronic properties of B and N doped graphene. We…
The authors report on synthesis and thermal properties of the electrically-conductive thermal interface materials with the hybrid graphene-metal particle fillers. The thermal conductivity of resulting composites was increased by ~500% in a…
Using density functional theory combined with quasi-harmonic approximation, we investigate the thermal expansion behaviors of three different types ({\alpha}, {\beta}, and {\gamma}) of graphyne which is a two-dimensional carbon allotrope…
It is evidenced by numerical calculations that optically pumped graphene is suitable for compensating inherent loss in terahertz (THz) metamaterials. In a first step, the complex conductivity of graphene under optical pumping is calculated…
Single-layer graphene is so flexible that its flexural mode (also called the ZA mode, bending mode, or out-of-plane transverse acoustic mode) is important for its thermal and mechanical properties. Accordingly, this review focuses on…
The thermo-mechanical coupling mechanism of graphene fracture under thermal gradients possesses rich applications whereas is hard to study due to its coupled non-equilibrium nature. We employ non-equilibrium molecular dynamics to study the…
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…
In this work, we present a comprehensive investigation of graphene's thermal conductivity using first-principles density functional perturbation theory calculations, with a focus on the phonon and lattice vibrational properties underlying…
We present an ab-initio study of photocarrier dynamics in graphene due to electron-phonon (EP) interactions. Using the Boltzmann relaxation-time approximation with parameters determined from density functional theory (DFT) and a…
The phonon modes at finite temperature in graphene and single-walled carbon nanotubes (SWCNT) are investigated by the mode projection technique combined with molecular dynamics simulation. It is found that the quadratic phonon spectrum of…
The electronic and vibrational properties of 2D materials are dramatically altered by the formation of a moir\'e superlattice. The lowest-energy phonon modes of the superlattice are two acoustic branches (called phasons) that describe the…
We present an accurate interatomic potential for graphene, constructed using the Gaussian Approximation Potential (GAP) machine learning methodology. This GAP model obtains a faithful representation of a density functional theory (DFT)…
At high phonon temperature, defect-mediated electron-phonon collisions (supercollisions) in graphene allow for larger energy transfer and faster cooling of hot electrons than the normal, momentum-conserving electron-phonon collisions.…
Porous graphene (PG) is a graphene derivative endowed of nanoporous architectures. This material possesses a particular structure with interconnected networks of high pore volume, producing membranes with a large surface area. Experiments…
Based on the first principles calculation combined with quasi-harmonic approximation, in this work we focus on the analysis of temperature dependent lattice geometries, thermal expansion coefficients, elastic constants and ultimate strength…