Related papers: First-principles theory of nonlinear long-range el…
A new method of obtaining the interaction Hamiltonian of phonons at superfluid helium-solid interface is proposed in the work. Equations of hydrodynamic variables are obtained in terms of second quantization if helium occupies a half-space.…
We develop a practical first-principles methodology to determine nonradiative carrier capture coefficients at defects in semiconductors. We consider transitions that occur via multiphonon emission. Parameters in the theory, including…
We develop a theoretical and computational framework to study polarons in semiconductors and insulators from first principles. Our approach provides the formation energy, excitation energy, and wavefunction of both electron and hole…
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…
Understanding and predicting lattice dynamics in strongly anharmonic crystals is one of the long-standing challenges in condensed matter physics. Here we propose a first-principles method that gives accurate quasiparticle (QP) peaks of the…
We present a new first-principles linear-response theory of changes due to perturbations in the quasiparticle self-energy operator within the $GW$ method. This approach, named $GW$ perturbation theory ($GW$PT), is applied to calculate the…
We present a theoretical description of the coupling between longitudinal optical phonons and collective excitations of a two-dimensional electron gas. By diagonalizing the Hamiltonian of the system, including Coulomb electron-electron and…
Dynamical mean-field theory computations of the electron self energy of the Hubbard-Holstein model as a function of electron-phonon and electron-electron interactions are analyzed to gain insight into the dependence of electron-phonon…
The calculation of electron-phonon (e-ph) coupling from first principles is a topic of great interest in materials science, offering a robust, non-empirical framework to understand and predict a wide range of physical phenomena. While…
We present a novel approach to electron-lattice interaction beyond the linear-coupling regime. Based on the solution of a Holstein-Peierls-type model, we derive explicit analytical expressions for the eigenvalue spectrum of the Hamiltonian,…
Helical liquids, formed by time-reversal pairs of interacting electrons in topological edge channels, provide a platform for stabilizing topological superconductivity upon introducing local and nonlocal pairings through the proximity…
Nonlinear phenomena of lepton-photon interactions in external backgrounds with a generalised periodic plane-wave geometry are studied. We discuss nonlinear Compton scattering in head-on lepton-photon collisions extended properly to beyond…
We discuss an integrable model describing one-dimensional electrons interacting with two-dimensional anharmonic phonons. In the low temperature limit it is possible to decouple phonons and consider one-dimensional excitations separately.…
This article reviews recent theoretical developments in the ab initio study of polarons in materials. The polaron is an emergent quasiparticle that arises from the interaction between electrons and phonons in solids, and consists of an…
Long-range electrostatic interactions critically affect polar materials. However, state-of-the-art atomistic potentials, such as neural networks or Gaussian approximation potentials employed in large-scale simulations, often neglect the…
The interplay of the electron-phonon interaction and of the double and super exchange magnetic effects is analyzed in the $La_{1-x}Ca_xMnO_3$ perovskites with $0<x<0.5$. By using an analytical variational scheme that allows to treat the…
The ab-initio theory of charge transport in semiconductors typically employs the lowest-order perturbation theory in which electrons interact with one phonon (1ph). This theory is accepted to be adequate to explain the low-field mobility of…
We develop a formalism and a computational method to study polarons in insulators and semi-conductors from first principles. Unlike in standard calculations requiring large supercells, we solve a secular equation involving phonons and…
In compound semiconductors and insulators, the polar electron-phonon coupling diverges at long range, known as the Fr\"ohlich interaction. Modern first-principles electron-phonon calculations treat the Fr\"ohlich interaction in a…
We propose a microscopic theory of interaction of long wave molecular phonons with electrons in fullerides in the presence of disorder. Phonon relaxation rate and frequency renormalization are discussed. Finite electronic bandwidth reduces…