Related papers: Fr\"ohlich electron-phonon vertex from first princ…
The continuous progress in fabricating low-dimensional systems with large spin-orbit couplings has reached a point in which nowadays materials may display spin-orbit splitting energies ranging from a few to hundreds of meV. This situation…
The electron-phonon coupling in ultrafast heating systems is studied within the framework of Boltzmann transport equation (BTE) with coupled electron and phonon transport. A discrete unified gas kinetic scheme is developed to solve the BTE,…
We present a first-principles approach for calculating phonon-polariton dispersion relations. In this approach, phonon-photon interaction is described by quantization of a Hamiltonian that describes harmonic lattice vibrations coupled with…
We present density functional theory calculations of the phonon-limited mobility in n-type monolayer graphene, silicene and MoS$_2$. The material properties, including the electron-phonon interaction, are calculated from first-principles.…
A direct band gap, remarkable light-matter coupling as well as strong spin-orbit and Coulomb interaction establish two-dimensional (2D) crystals of transition metal dichalcogenides (TMDs) as an emerging material class for fundamental…
The efficiency of optical emitters can be dramatically enhanced by reducing the effective mode volume (the Purcell effect). Here we predict an analogous enhancement for electron-phonon (el-ph) scattering, achieved by compressing the…
First-principles calculations of $e$-ph interactions are becoming a pillar of electronic structure theory. However, the current approach is incomplete. The piezoelectric (PE) $e$-ph interaction, a long-range scattering mechanism due to…
Looking for superconductors with higher transition temperature requires a guiding principle. In conventional superconductors, electrons pair up into Cooper pairs via the retarded attraction mediated by electron-phonon coupling.…
Ab initio calculations of the phonon-induced band structure renormalization are currently based on the perturbative Allen-Heine theory and its many-body generalizations. These approaches are unsuitable to describe materials where electrons…
A large polaron is a quasiparticle that consists of a nearly free electron interacting with the phonons of a material, whose lattice parameters are much smaller than the polaron scale. The electron-phonon interaction also leads to an…
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…
The mechanism of heat transfer and the contribution of electron-phonon coupling to thermal conductance of a metal-semiconductor interface remains unclear in the present literature. We report ab initio simulations of a technologically…
Relying on the anharmonic special displacement method, we introduce an ab initio quasistatic polymorphous framework to describe local disorder, anharmonicity, and electron-phonon coupling in superionic conductors. Using the example of cubic…
Van der Waals (vdW) materials supporting phonon polaritons (PhPs) - light coupled to lattice vibrations - have gathered significant interest because of their intrinsic anisotropy and low losses. In particular, $\alpha$-MoO$_3$ supports PhPs…
The strong coupling between electromagnetic field and lattice oscillation in piezoelectric materials gives rise to phonon polariton excitations. Such quasiparticles open up new directions in modulating the ubiquitous Casimir force. Here by…
We have combined the Boltzmann transport equation with an {\it ab initio} approach to compute the thermoelectric coefficients of semiconductors. Electron-phonon, ionized impurity, and electron-plasmon scattering rates have been taken into…
The Feynman path-integral variational approach to the polaron problem\cite{Feynman1955}, along with the associated FHIP linear-response mobility theory\cite{Feynman1962}, provides a computationally amenable method to predict the…
A path-integral approach to lattice polarons is developed. The method is based on exact analytical elimination of phonons and subsequent Monte Carlo simulation of self-interacting fermions. The analytical basis of the method is presented…
An optimized phonon approach for the numerical diagonalization of interacting electron-phonon systems is proposed. The variational method is based on an expansion in coherent states that leads to a dramatic truncation in the phonon space.…
Based on recent advances in first-principles theory, we develop a general model of the band offset at metal/ferroelectric interfaces. We show that, depending on the polarization of the film, a pathological regime might occur where the…