相关论文: Multi-phonon diffuse scattering in solids from fir…
Positional polymorphism in solids refers to locally disordered unit cells that, on average, reproduce the high-symmetry structures observed in diffraction experiments. Standard theories of electron-phonon interactions fail to describe the…
Phonons, quantized vibrations of the atomic lattice, are fundamental to understanding thermal transport, structural stability, and phase behavior in crystalline solids. Despite advances in computational materials science, most predictions…
Structural phase transitions and soft phonon modes pose a longstanding challenge to computing electron-phonon (e-ph) interactions in strongly anharmonic crystals. Here we develop a first-principles approach to compute e-ph scattering and…
In this paper, we are interested in the transition between regimes here either visco-thermal or multiple scattering effects dominate for the propagation of acoustic waves through a 2D regular square array of rigid cylinders embedded in air.…
Micro-Raman spectroscopy has become an important tool in probing thermophysical behavior in emerging functional materials such as two-dimensional (2D) layered structures. Localized heating by the focused Raman excitation laser beam is…
It is known that carrier mobility in layered semiconductors generally increases from two-dimension (2D) to three-dimension due to suppressed scattering channels resulting from decreased densities of electron and phonon states. In this work,…
The electron-phonon interaction and related transport properties are investigated in monolayer silicene and MoS2 by using a density functional theory calculation combined with a full-band Monte Carlo analysis. In the case of silicene, the…
Based on the formalism developed by Psarobas et al [Phys. Rev. B 62, 278(2000)], which using the multiple scattering theory to calculate properties of simple phononic crystals, we propose a very simple method to study the NaCl-type phononic…
Transition metal dichalcogenides (TMDs) are layered materials which show excellent potential for nanoelectronic and optoelectronic applications. However, as many of the exciting features of these materials are controlled by the anharmonic…
Point defects exist widely in engineering materials and are known to scatter vibrational modes to reduce thermal conductivity. The Klemens description of point defect scattering is the most prolific analytical model for this effect. This…
All solids, whether crystalline or disordered, support elastic wave propagation with a linear dispersion relation in the long-wavelength limit. These waves, corresponding to low-frequency phonons, feature a vibrational density of states…
We apply the model introduced in Phys. Rev. B 75, 064202 (2007), cond-mat/0610469, to calculate the anisotropy effect in the interaction of two level systems with phonons in disordered crystals. We particularize our calculations to cubic…
We review our recent development of a first-principles lattice dynamics method that can treat anharmonic effects nonperturbatively. The method is based on the self-consistent phonon theory and temperature-dependent phonon frequencies can be…
Transition metal dichalcogenide, especially MoS2 has attracted lot of attention recently owing to its tunable visible range band gap and anisotropic electronic and transport properties. Here, we report a comprehensive inelastic light…
We experimentally determine the lattice dynamics of black phosphorus layered crystals through a combination of x-ray diffuse scattering and inelastic x-ray scattering, and we rationalize our experimental findings using $\textit{ab initio}$…
In this paper we shall discuss the effect of disorder induced configuration fluctuations on single particle and two-particle phonon Green functions in substitutional random binary alloys. The randomness of the system will be dealt within…
The nonequilibrium total dielectric function lends itself to a simple and general method for calculating the inelastic collision term in the electron Boltzmann equation for scattering from a coupled mode system. Useful applications include…
We derive expressions for the intensity of the Brillouin polarized spectrum of a molecular liquid formed of axially symmetric molecules. These expressions take into account both the molecular dielectric anisotropy and the modulation of the…
Resonance Raman scattering, which probes electrons, phonons and their interplay in crystals, is extensively used in two-dimensional materials. Here we investigate Raman modes in MoSe$_2$ at different laser excitation energies from 2.33 eV…
The interactions between electrons and lattice vibrational modes play the key role in determining the carrier transport properties, thermoelectric performance and other physical quantities related to phonons in semiconductors. However, for…