Related papers: Fr\"ohlich electron-phonon vertex from first princ…
The layered van der Waals Fe$_5$GeTe$_2$ (F5GT) compound exhibits room-temperature ferromagnetism, making it a promising candidate for technological applications. In our study, combined temperature, wavelength, and polarization-dependent…
$Ab-initio$ probabilities of phonon-assisted intervalley scattering of electrons in the conduction bands of ternary chalcopyrite compounds $ZnSiP_2$ and $ZnGeP_2$ between the central $\Gamma$ minima and the lowest lateral minima (valleys)…
The first order standard perturbation theory combined with ab initio projector augmented wave operator challenges the realization of the standard Sternheimer equation with linear computational efficiency. This efficiency motivates us to…
Isotope effects on phonon properties and transport have been predicted and observed for decades. However, despite the crucial impact of electron-phonon interactions, the effect of isotopes on electron transport remains largely unexplored.…
Electron-phonon interactions in solids are crucial for understanding many interesting phenomena, such as conventional superconductivity, temperature-dependent band-gap renormalization, and polarons. For harmonic materials, the linear…
Magnetic materials are crucial for manipulating electron spin and magnetic fields, enabling applications in data storage, spintronics, charge transport, and energy conversion, while also providing insight into fundamental quantum phenomena.…
In a polar solid, electrons or other charge carriers can interact with the phonons of the ionic lattice, leading to the formation of polaron quasiparticles. The optical conductivity and optical absorption spectrum of a material are affected…
In this work, the effect of electron-phonon (e-ph) coupling on both electron and phonon transport of metals is investigated via first principles calculations. A Monte-Carlo (MC) approach for solving the coupled electron-phonon Boltzmann…
In this paper, we propose a computational framework, based on the VASP and phono3py computer codes, to obtain the thermoelectric figure of merit from the electron-phonon and phonon-phonon interactions using finite displacements in…
Interactions of charge carriers with lattice vibrations, or phonons, play a critical role in unconventional electronic transport of metals and semimetals. Recent observations of phonon-mediated collective electron flow in bulk semimetals,…
We employ quasiparticle path integral molecular dynamics to study how the excitonic properties of model semiconductors are altered by electron-phonon coupling. We describe ways within a path integral representation of the system to evaluate…
Two-site single electron system interacting with many vibrating ions of a lattice via a long-range (Fr\"{o}hlich) electron-phonon interaction is studied in the adiabatic regime. The renormalised hopping integral of small adiabatic…
In materials with strong electron-phonon (e-ph) interactions, charge carriers can distort the surrounding lattice and become trapped, forming self-localized (small) polarons. We recently developed an ab initio approach based on canonical…
Electron relaxation in quantum dots is studied theoretically in polar semiconductor materials, with an emphasis put on the phonon-bottleneck problem and electron-LO-phonon coupling. The theory is based on multiphonon states of the…
The thermodynamic and spectral properties of electrons coupled to quantum phonons are studied within the spinless Holstein model. Using quantum Monte Carlo simulations, we obtain accurate results for the specific heat and the…
We formulate an ab initio downfolding scheme for electron-phonon coupled systems. In this scheme, we calculate partially renormalized phonon frequencies and electron-phonon coupling, which include the screening effects of high-energy…
We study the electron-phonon coupling strength near the interface of monolayer and bilayer FeSe thin films on SrTiO$_3$, BaTiO$_3$, and oxygen-vacant SrTiO$_3$ substrates, using ab initio methods. The calculated total electron-phonon…
Modeling spin-wave (magnon) dynamics in novel materials is important to advance spintronics and spin-based quantum technologies. The interactions between magnons and lattice vibrations (phonons) limit the length scale for magnon transport.…
The theory of the interaction of electrons with acoustic phonons in multilayer nitride-based AlN/GaN nanostructures was developed for the first time at $T\geqslant 0$ using the method of finite-temperature Green's functions and Dyson…
A theory for the relaxation rates of a test electron and electron temperature in quantum wires due to deformation, piezoelectric acoustical and polar optical phonon scattering is presented. We represent intra- and inter-subband relaxation…