相关论文: Phonons and Thermal Transport in Graphene and Grap…

The lattice thermal conductivity and thermal transport properties of 2D $\alpha$-selenene are investigated based on the first-principles calculations. The isotropic in-plane thermal conductivity is as low as 3.04 W m$^{-1}$ K$^{-1}$ at room…

Penta-graphene (PG) has been identified as a novel 2D material with an intrinsic bandgap, which makes it especially promising for electronics applications. In this work, we use first-principles lattice dynamics and iterative solution of the…

This review examines the properties of graphene from an experimental perspective. The intent is to review the most important experimental results at a level of detail appropriate for new graduate students who are interested in a general…

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 theoretically how energy and heat are transferred between the two-dimensional layers of bilayer carrier systems due to near-field interlayer carrier interaction. We derive general expressions for the interlayer heat transfer and…

The radiative heat transfer between two dielectrics can be strongly enhanced in the near field in the presence of surface phonon-polariton resonances. Nevertheless, the spectral mismatch between the surface modes supported by two dissimilar…

The thermal transport properties of biphenylene network (BPN), a novel sp2 -hybridized two-dimensional allotrope of carbon atoms recently realized in experiments [Fan et al., Science, 372 852-856 (2021)], are studied using the density…

We present a phenomenological force-constant model developed for the description of lattice dynamics of sp2 hybridized carbon networks. Within this model approach, we introduce a new set of parameters to calculate the phonon dispersion of…

First principles-based predictions of lattice thermal conductivity (TC) from perturbation theory have achieved significant success. Usually, it only included three-phonon (3ph) scattering processes, only recently four-phonon (4ph)…

Fundamental insight into lattice dynamics and phonon transport is critical to the efficient manipulation of heat flow, which is one of the appealing thermophysical problems with enormous practical implications. Phosphorene, a novel…

The authors proposed a simple model for the lattice thermal conductivity of graphene in the framework of Klemens approximation. The Gruneisen parameters were introduced separately for the longitudinal and transverse phonon branches through…

As a critical way to modulate thermal transport in nanostructures, phonon resonance hybridization has become an issue of great concern in the field of phonon engineering. In this work, we optimized phonon transport across graphene…

We have surveyed the in-plane transport properties of the graphene twist bilayer using (i) a low-energy effective Hamiltonian for the underlying electronic structure, (ii) an isotropic elastic phonon model, and (iii) the linear Boltzmann…

In this work we carry out a theoretical study of the phonon-induced resistivity in twisted double bilayer graphene (TDBG), in which two Bernal-stacked bilayer graphene devices are rotated relative to each other by a small angle $\theta$. We…

The mechanical properties of two-dimensional materials are important for a wide range of applications including composite and van der Waals-materials, flexible electronics and superconductivity. Several aspects are highly debated in the…

The effects of surface polar phonons on electronic transport properties of monolayer graphene are studied by using a Monte Carlo simulation. Specifically, the low-field electron mobility and saturation velocity are examined for different…

Understanding heat transport in organic semiconductors is of fundamental and practical relevance. Therefore, we study the lattice thermal conductivities of a series of (oligo)acenes, where an increasing number of rings per molecule leads to…

We have implemented a generic method, based on the 2n+1 theorem within density functional perturbation theory, to calculate the anharmonic scattering coefficients among three phonons with arbitrary wavevectors. The method is used to study…

Thermal transport acts as a powerful tool for studying the excitations and physical properties of insulators, where a charge gap suppresses electronic conduction. Recently, the thermal Hall effect has been observed across various materials,…

Starting from our previous work where we have obtained a system of coupled integro-differential equations for acoustic sound waves and phonon density fluctuations in 2D crystals, we derive here the corresponding hydrodynamic equations and…