Related papers: phq: a Fortran code to compute phonon quasiparticl…
The harmonic approximation of ionic fluctuations and the linear coupling between phonons and electrons provide the standard framework to compute, from first principles, the contribution of nuclear dynamics and its interaction with electrons…
Phonons are essential quasi-particles of all crystals and play a key role in fundamental properties such as thermal transport and superconductivity. In particular, acoustic phonons can be interpreted as Goldstone modes that emerge due to…
We develop a model to study the thermal expansion of surfaces, wherein phonon frequencies are obtained from ab initio total energy calculations. Anharmonic effects are treated exactly in the direction normal to the surface, and within a…
We study partial fraction decompositions (PFDs) in several variables using tools from commutative algebra. We give criteria for when a rational function with poles on a hyperplane arrangement has a desirable PFD. Our criteria are obtained…
The thermodynamic properties of hcp-iron ({\epsilon}-Fe) are essential for investigating planetary cores' internal structure and dynamic properties. Despite their importance to planetary sciences, experimental investigations of…
Controlling the vibrations in solids is crucial to tailor their mechanical properties and their interaction with light. Thermal vibrations represent a source of noise and dephasing for many physical processes at the quantum level. One…
We investigate the non-monotonic temperature sensitivity of a coherently driven two-level quantum system coupled to an Ohmic phonon environment. By employing a unitary polaron transformation, we account for phonon-induced renormalization…
The occurrence of thermal transport phenomena is widespread, exerting a pivotal influence on the functionality of diverse electronic and thermo-electric energy-conversion devices. The traditional first-principles theory governing the…
EPW is an open-source software for $\textit{ab initio}$ calculations of electron-phonon interactions and related materials properties. The code combines density functional perturbation theory and maximally-localized Wannier functions to…
In recent years, palladium has proven to be a crucial component for devices ranging from nanotube field effect transistors to advanced hydrogen storage devices. In this work, I examine the phonon dispersion of fcc Pd using first principle…
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…
The spherically averaged structure function $\soq$ obtained from pulsed neutron powder diffraction contains both elastic and inelastic scattering via an integral over energy. The Fourier transformation of $\soq$ to real space, as is done in…
We report an analysis on a phonon spectral function of a solid-state plasma formed in a doped semiconductor. Real and imaginary parts of phonon propagators are evaluated including carrier screening effects within a random phase…
We numerically and experimentally investigate the phononic loss for superconducting resonators fabricated on a piezoelectric substrate. With the help of finite element method simulations, we calculate the energy loss due to…
We compute the anharmonic shift of the phonon frequencies in MgB2, using density functional theory. We explicitly take into account the scattering between different phonon modes at different q-points in the Brillouin zone. The shift of the…
Phonon self-energy corrections have mostly been studied theoretically and experimentally for phonon modes with zone-center (q = 0) wave-vectors. Here, gate-modulated Raman scattering is used to study phonons of a single layer of graphene…
We study leading-order many-body effects of longitudinal optical (LO) phonons on electronic properties of one-dimensional quantum wire systems. We calculate the quasiparticle properties of a weakly polar one dimensional electron gas in the…
The all-temperature magnon (ATM) theory [J. Phys. Condens. Matter 21, 336003/1-14, 2009] has been used to analyze the temperature dependence of magnetization as well as the internal energy components of a mono-domain ferromagnetic solid.…
Effective harmonic methods allow for calculating temperature dependent phonon frequencies by incorporating the anharmonic contributions into an effective harmonic Hamiltonian. The systematic errors arising from such an approximation are…
The main quasi-particle characteristics of the one-dimensional polaron are estimated within and beyond the most general Gaussian approximation at arbitrary electron-phonon coupling. We have derived explicitly the ground-state energy and the…