Related papers: Collective Phonon Mixing and Eigenvector Transport…
Density functional perturbation theory calculations of alpha-quartz using extended norm conserving pseudopotentials have been used to study the elastic properties and phonon dispersion relations along various high symmetry directions as a…
The mass region with A~100 and Z~40 is known to experience a sudden onset of deformation. The presence of the subshell closure $Z=40$ makes feasible to create particle-hole excitations at a moderate excitation energy and, therefore, likely…
The anharmonic lattice dynamics of rock-salt thermoelectric compounds SnTe and PbTe are investigated with inelastic neutron scattering (INS) and first-principles calculations. The experiments show that, surprisingly, although SnTe is closer…
We present a combined experimental and theoretical study of the surface vibrational modes of the topological insulator (TI) Bi$_2$Se$_3$ with particular emphasis on the low-energy region below 10 meV that has been difficult to resolve…
The phonon density-of-states of transition metal diborides TMB2 with TM = Ti, V, Ta, Nb and Y has been measured using the technique of inelastic neutron scattering. The experimental data are compared with ab initio density functional…
We present an analysis of the vibrational dynamics of metal vicinal surfaces using the embedded atom method to describe the interaction potential and both a real space Green's function method and a slab method to calculate the phonons. We…
We develop a theoretical model for polarization-selective phonon pumping induced by magnon-phonon coupling in a ferromagnetic/non-magnetic acoustic bilayer structure, focusing on the effects arising from a misalignment between the magnetic…
Thermal transport in single layer molybdenum disulfide (MoS2) is critical to advancing its applications. In this paper, we use molecular dynamics (MD) simulations with first-principles force constants to study the isotope effect on the…
Low-count positron emission tomography (PET) reconstruction is a challenging inverse problem due to severe degradations arising from Poisson noise, photon scarcity, and attenuation correction errors. Existing deep learning methods typically…
Nonlinear phononics relies on the resonant optical excitation of infrared-active lattice vibrations to coherently induce targeted structural deformations in solids. This form of dynamical crystal-structure design has been applied to control…
Nuclear matter is studied within the Density Functional Theory (DFT) framework. Our method employs a finite number of nucleons in a box subject to periodic boundary conditions, in order to simulate infinite matter and study its response to…
The intermetallic compound ZrCo and its hydrides are important materials for their use in hydrogen isotope storage. The dynamical, thermodynamic and elastic properties of ZrCo and its hydrides ZrCoX3 (X= H, D and T) are reported. While the…
We combine femtosecond electron diffuse scattering experiments and first-principles calculations of the coupled electron-phonon dynamics to provide a detailed momentum-resolved picture of the ultrafast lattice thermalization in a thin film…
Neutrino masses and mixing can be investigated by studying the behavior of a radioactive bare nucleus which decays by emitting an electron into the open atomic K shell BEFORE and DURING its weak decay by neutrino emission. The initial…
In this work, a Landauer approach enabled by the Frequency Domain Perfectly Matched Layer Method (FDPML) is used to study phonon transport in a series of large 2D domains with randomly embedded nanoparticles over a wide range of…
We analyze linear fluctuations of five-dimensional Einstein-Dilaton theories dual to holographic quantum field theories defined on four-dimensional de Sitter and Anti-de Sitter space-times. We identify the physical propagating scalar and…
Inelastic neutron scattering measurements are utilized to explore relative changes in the generalized phonon density of states of nanocrystalline Si1xGex thermoelectric materials prepared via ball milling and hot-pressing techniques.…
A multifield asymptotic homogenization technique for periodic thermo-diffusive elastic materials is provided in the present study. Field equations for the first-order equivalent medium are derived and overall constitutive tensors are…
Topologically ordered phases exhibit further complexity in the presence of global symmetries: Their anyonic excitations may exhibit different transformation patterns under these symmetries, leading to a classification in terms of…
We report a phonon density of states measurement of $\alpha$-ZnCl$_{2}$ using the coherent inelastic neutron scattering technique and a lattice dynamical calculation in four crystalline phases of ZnCl$_{2}$ using a transferable interatomic…