Related papers: phq: a Fortran code to compute phonon quasiparticl…
We study the principal aspects of the interaction between acoustic phonons and two-dimensional electrons in quantizing magnetic fields corresponding to even denominator fractions. Using the composite fermion approach we derive the vertex of…
We present first-principles calculations of metallic atomic hydrogen in the 400-600 GPa pressure range in a tetragonal structure with space group $I4_1/amd$, which is predicted to be its first atomic phase. Our calculations show a band…
A fully quantum multiphonon up-pumping model is proposed to characterize coherent energy transfer in energetic materials (EMs) subjected to external shock. After eliminating the degrees of freedom of the phonon bath within a mean-field…
The phonon-assisted interband optical absorption spectrum of silicon is calculated at the quasiparticle level entirely from first principles. We make use of the Wannier interpolation formalism to determine the quasiparticle energies, as…
The anharmonic contribution to phonon lifetime and its temperature dependence is calculated from first principle in C, Si and Ge using third-order density-functional perturbation theory. Good agreement with available experimental data is…
We calculate the phonon-dispersion relations of several two-dimensional materials and diamond using the density-functional based tight-binding approach (DFTB). Our goal is to verify if this numerically efficient method provides sufficiently…
We calculate the electromagnetic response functions of a Fractional Quantum Hall system within the framework of the fermion Chern-Simons theory for the Fractional Hall Effect (FQHE) which we developed before. Our results are valid in a…
We report first principles calculations of the phonon dispersions of PbTe both for its observed structure and under compression. At the experimental lattice parameter we find a near instability of the optic branch at the zone center, in…
The abrupt loss of mechanical stability of two-dimensional graphene-type crystals at a certain transition temperature is described. At this temperature, the graphene state with practically zero-speed bending sound and developed bending…
elphbolt is a modern Fortran (2018 standard) code for efficiently solving the coupled electron-phonon Boltzmann transport equations from first principles. Using results from density functional and density functional perturbation theory as…
We introduce and model a three-dimensional (3D) atomic-scale phononic metamaterial producing two-path phonon interference antiresonances to control the heat flux spectrum. We show that a crystal plane partially embedded with defect-atom…
Fano profiles are observed across various fields of wave physics. They emerge from interference phenomena and are quantified by the asymmetry parameter q. In optics, q is usually considered as a phenomenological coefficient obtained by…
Understanding the processes governing the dissociation of excitons to free charge carriers in semiconductors and insulators is of central importance for photovoltaic applications. Dyson's $\mathcal{S}$-matrix formalism provides a framework…
Thermal properties are of great interest in modern electronic devices and nanostructures. Calculating these properties is straightforward when the device is made from a pure material, but problems arise when alloys are used. Specifically,…
Motivated by the absence of experimental superconductivity in the metallic Pm-3n phase of AlH3 despite the predictions, we reanalyze its vibrational and superconducting properties at pressures above 99 GPa making use of first-principles…
We theoretically analyze the spectrum of phonons of a one-dimensional quasiperiodic lattice. We simulate the quasicrystal from the classic system of spring-bound atoms with a force constant modulated by the Aubry-Andr\'e model, so that its…
We compute the phonon dispersion, density of states, and the Gr\"uneisen parameters of bulk palladium in the combined density functional theory (DFT) and dynamical mean-field theory (DMFT). We find good agreement with experimental results…
The finite momentum transfer ($\boldsymbol{q}$) longitudinal optical response $\sigma^L(\boldsymbol{q},\omega)$ of graphene has a peak at an energy $\omega=\hbar v_F q$. This corresponds directly to a quasiparticle peak in the spectral…
We introduce a lattice dynamics package which calculates elastic, thermodynamic and thermal transport properties of crystalline materials from data on their force and potential energy as a function of atomic positions. The data can come…
Extensive inelastic neutron scattering measurements of phonons on a single crystal of CaFe2As2 allowed us to establish a fairly complete picture of phonon dispersions in the main symmetry directions. The phonon spectra were also calculated…