相关论文: Multi-phonon diffuse scattering in solids from fir…
We develop a first-principles many-body framework to describe the dynamics of photocarriers and phonons in semiconductors following ultrafast excitation. Our approach incorporates explicit ab initio light-matter coupling and…
Based on the first-principles calculations, we study the electron-phonon scattering effect on the resistivity in the zirconium dichalcogenides, $\text{Zr}_{}\text{S}_{2}$ and $\text{Zr}_{}\text{Se}_{2}$, whose electronic band structures…
This paper considers acoustic scattering by and propagation through line and plane arrays of air-bubbles in liquid media. The self-consistent method is used to derive the effective scattering function of a single bubble embedded in the…
We analyze the ground states and the elementary collective excitations (phonons) of a class of systems, which form cluster crystals in the absence of attractions. Whereas the regime of moderate-to-high-temperatures in the phase diagram has…
Inelastic x-ray scattering with meV energy resolution (IXS) is an ideal tool to measure collective excitations in solids and liquids. In non-resonant scattering condition, the cross section is strongly dominated by lattice vibrations…
We present a comparative assessment of the features of inelastic atom-surface scattering spectra that are produced by several different forms of linear and nonlinear phonon coupling to the projectile atom. Starting from a simple theoretical…
In this work, the author developed a multiple scattering model for heterogeneous elastic continua with strong property fluctuation and obtained the exact solution to the dispersion equation derived from the Dyson equation under the…
The properties of crystals consisting of several components can be widely tuned. Often solid solutions are produced, where substitutional or interstitional disorder determines the crystal thermodynamic and mechanical properties. The…
We develop a multidimensional coupled channel method suitable for studying the interplay of bound state resonance and phonon assisted scattering of inert gas atoms from solid surfaces in one, two and three dimensions. This enables us to get…
Anharmonic effects in an atomic monolayer thin crystal with honeycomb lattice structure are investigated by analytical and numerical lattice dynamical methods. Starting from a semi-empirical model for anharmonic couplings of third and…
Resonance Raman scattering, a very effective and sensitive technique for atomically thin semiconducting transition metal dichalcogenide, can be used to observe the phonons from the entire Brillouin zone. In addition to the significance of…
We present a numerical approach to the solution of elastic phonon scattering problems based on a frequency domain decomposition of the atomistic equations of motion and the use of perfectly matched layer or PML boundaries. Unlike MD…
We present the vibrational properties and phonon dispersion for quasi-2D hybrid organic-inorganic perovskites (BA)$_2$CsPb$_2$I$_7$, (HA)$_2$CsPb$_2$I$_7$, (BA)$_2$(MA)Pb$_2$I$_7$, and (HA)$_2$(MA)Pb$_2$I$_7$ calculated from first…
We report on the determination of high-pressure elasticity from thermal diffuse x-ray scattering of magnesium oxide at pressures up to 28 GPa. We find that the full elasticity tensor as a function of pressure can be extracted from x-ray…
Intervalley collisions, which scatter electrons from one valley or band to another, can be detrimental to thermoelectric performance in materials with multiple valleys/bands. In this study, density functional theory is used to investigate…
Electron-phonon interactions in solids are crucial for understanding many interesting phenomena, such as conventional superconductivity, temperature-dependent band-gap renormalization, and polarons. For harmonic materials, the linear…
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)…
Two-dimensional (2D) transition metal dichalcogenide (TMD) nanosheets exhibit remarkable electronic and optical properties. The 2D features, sizable bandgaps, and recent advances in the synthesis, characterization, and device fabrication of…
We investigate experimentally a Bose Einstein condensate placed in a 1D optical lattice whose phase or amplitude is modulated in a frequency range resonant with the first bands of the band structure. We study the combined effect of the…
A canonical quantization procedure is applied to elastic waves interacting with pinned dislocation segments via the Peach-Koehler force. The interaction Hamiltonian, derived from an action principle that classically generates the…