相关论文: Phonon dispersion in two-dimensional solids from a…

Lattice relaxations, surface phonon spectra, surface energies, and work functions are calculated for Rh(100) and Rh(110) surfaces using density-functional theory and the full-potential linearized augmented plane wave method. Both, the…

First-principles calculations are used in order to investigate phonon anomalies in non-magnetic and magnetic Heusler alloys. Phonon dispersions for several systems in their cubic L2$\mathrm{_1}$ structure were obtained along the [110]…

We use the symmetries of monolayer graphene to write a set of constraints that must be satisfied by any electron-phonon interaction hamiltonian. The explicit solution as a series expansion in the momenta gives the most general,…

We investigate the optical properties of layered structures with graphene at the interface for arbitrary linear polarization at finite temperature including full retardation by working in the Weyl gauge. As a special case, we obtain the…

An approach to compute the anharmonic peaks of the phonon dispersion curves through the ab initio calculated Hellmann-Feynman forces from a series of supercells with realistic atomic displacements of all atoms, which correspond to a given…

Ballistic heat transport and second sound propagation in solids is of direct relevance in electronic and energy applications at short length scales and low temperatures. Measurement or calculation of thermal conductivity, which is typically…

We consider light scattering off a two-dimensional (2D) dipolar array and show how it can be tailored by properly choosing the lattice constant of the order of the incident wavelength. In particular, we demonstrate that such arrays can…

We calculated the phonon dispersion relations of ZnX (X=Se, Te) employing ab initio techniques. These relations have been used to evaluate the temperature dependence of the respective specific heats of crystals with varied isotopic…

We first propose fundamental solutions of wave propagation in one-dimensional dispersive chain subject to a localized initial perturbation in the displacement. Analytical solutions are obtained for both second order nonlinear dispersive…

This paper presents a simple Fourier-matching method to rigorously study resonance frequencies of a sound-hard slab with a finite number of arbitrarily shaped cylindrical holes of diameter ${\cal O}(h)$ for $h\ll1$. Outside the holes, a…

Raman spectroscopy plays a key role in studies of graphene and related carbon systems. Graphene is perhaps the most promising material of recent times for many novel applications, including electronics. In this paper, the traditional and…

We present a simple analytical approach to study anharmonic effects in single layer, bilayer, and multilayer graphene. The coupling between in plane and out of plane modes leads to negative Gr\"uneisen coefficients and negative thermal…

Collective excitations of coupled electron-phonon systems are calculated for both monolayer and bilayer graphene, taking into account the non-perturbative Coulomb coupling between electronic excitations in graphene and the substrate…

In recent years, phonon electron carrier dragging has emerged as an innovative approach for modulating energy transfer in low dimensional systems. In this Letter, we explore the fundamental mechanisms of electron-phonon coupling and the…

We compute electron-phonon coupling (EPC) of selected phonon modes in graphene and graphite using various ab-initio methods. The inclusion of non-local exchange-correlation effects within the GW approach strongly renormalizes the square EPC…

The two-dimensional mapping of the phonon dispersions around the $K$ point of graphite by inelastic x-ray scattering is provided. The present work resolves the longstanding issue related to the correct assignment of transverse and…

Thermal properties of graphene monolayers are studied by path-integral molecular dynamics (PIMD) simulations, which take into account the quantization of vibrational modes in the crystalline membrane, and allow one to consider anharmonic…

We have calculated the dispersion curves of H vibrational modes on Pt(111), using first-principles, total energy calculations based on a mixed-basis set and norm-conserving pseudopotentials. Linear response theory and the harmonic…

Using non-equilibrium molecular dynamics method(NEMD), we have found that the thermal conductivity of multilayer graphene nanoribbons monotonously decreases with the increase of the number of layers, such behavior can be attributed to the…

The design and fabrication of phononic crystals (PnCs) hold the key to control the propagation of heat and sound at the nanoscale. However, there is a lack of experimental studies addressing the impact of order/disorder on the phononic…