Related papers: First-principles theory of nonlinear long-range el…
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…
First principles linear combinations of Gaussian type orbitals-fitting function (LCGTO-FF) electronic structure calculations are used to study thickness dependencies in the surface energies and work functions of ultra-thin (111) films of…
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…
Electron-phonon interaction and phonon frequencies of doped polar semiconductors are sensitive to long-range Coulomb forces and can be strongly affected by screening effects of free carriers, the latter changing significantly when…
Electron-phonon(e-ph) interaction in Ca2N monolayer, the first electrene material with two-dimensional(2D) electron gas floating in free space, is expected to be very weak and such a character can be used to design weak-scattering transport…
First-principles calculations of electron interactions in materials have seen rapid progress in recent years, with electron-phonon (e-ph) interactions being a prime example. However, these techniques use large matrices encoding the…
In the past five years enormous progress has been made in the ab initio calculations of the optical response of electrons in semiconductors. The calculations include the Coulomb interaction between the excited electron and the hole left…
We study the problem of the phonon-induced electron-electron interaction in a solid. Starting with a Hamiltonian that contains an electron-phonon interaction, we perform a similarity renormalization transformation to calculate an effective…
Positional polymorphism in solids refers to locally disordered unit cells that, on average, reproduce the high-symmetry structures observed in diffraction experiments. Standard theories of electron-phonon interactions fail to describe the…
We develop a unified treatment of the piesoelectric coupling between two-dimensional electrons and bulk phonons in both cases of zero and strong magnetic fields, the latter corresponding to even denominator filling fractions. In contrast to…
We propose a theory which deals with the structure and interactions of volume elements in liquid helium II. The approach consists of two nested models linked via parametric space. The short-wavelength part describes the interior structure…
Optically active spin defects in solids are promising platforms for quantum technologies. Here, we present a first-principles framework to investigate intersystem crossing processes, which represent crucial steps in the optical…
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 formulate and apply a theory of electron-phonon interactions for the surface state of a strong topological insulator. Phonons are modelled using an isotropic elastic continuum theory with stress-free boundary conditions and interact with…
Electron-electron ($e$-$e$) and electron-phonon ($e$-ph) interactions are challenging to describe in correlated materials, where their joint effects govern unconventional transport, phase transitions, and superconductivity. Here we combine…
A family of exact sum rules for the one-polaron spectral function in the low-density limit is derived. An algorithm to calculate energy moments of arbitrary order of the spectral function is presented. Explicit expressions are given for the…
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…
We investigate the low-energy properties of the Holstein polaron through calculation of the q-dependent phonon spectral function using an improved exact-diagonalization technique, defined over a variational Hilbert space. We perform a…
The properties of a dilute electron gas, coupled to the lattice degrees of freedom, are studied and compared with the properties of an electron gas at half-filling, where spinless fermions with two orbitals per lattice site are considered.…
Atom scattering is becoming recognized as a sensitive probe of the electron-phonon interaction parameter $\lambda$ at metal and metal-overlayer surfaces. Here, the theory is developed linking $\lambda$ to the thermal attenuation of atom…