Related papers: Polarons from first principles, without supercells
We consider a one dimensional model of an electron in a doubly (or nearly) degenerate band that interacts with elastic distortions. We show that the electron equations of motion reduce to a set of coupled non-linear Schrodinger equations.…
Halide perovskites emerged as a revolutionary family of high-quality semiconductors for solar energy harvesting and energy-efficient lighting. There is mounting evidence that the exceptional optoelectronic properties of these materials…
Exciton-polaritons in organic materials are hybrid states that result from the strong interaction of photons and the bound excitons that these materials host. Organic polaritons hold great interest for optoelectronic applications, however…
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…
The electron and phonon temperature distribution function are calculated in semiconductors. We solved the coupled one-dimensional heat-diffussion equations in the linear approximation in which the physical parameters on the sample are…
The properties of excitons, or correlated electron-hole pairs, are of paramount importance to optoelectronic applications of materials. A central component of exciton physics is the electron-hole interaction, which is commonly treated as…
We study properties of polarons and excitons confined to a potential generated in a planar semiconductor heterostructure of the $Ga_{1-x}Al_{x}As/GaAs/Ga_{1-x}Al_{x}As$ type. In contrast with results of other authors peaks are found for the…
Light-mass bipolarons in off-diagonally coupled electron-phonon systems provide a potential route to bipolaronic high-Tc superconductivity. While there has been numerical progress in the physically relevant limit of slow phonons, more…
Lattice vibrations in materials induce perturbations on the electron dynamics in the form of long-range (dipole and quadrupole) and short-range (octopole and higher) potentials. The dipole Fr\"ohlich term can be included in current…
Phonon-assisted tunneling plays a crucial role for electronic device performance and even more so with future size down-scaling. We show how one can include this effect in large-scale first-principles calculations using a single "special…
We develop an exact computational method based on numerical X-propagators for solving polaron models with arbitrary nonlinear couplings of local vibration modes to the electron density and magnitude of the hopping amplitude. Our approach…
Polaron formation following optical absorption is a key process that defines the photophysical properties of many semiconducting transition metal oxides, which comprise an important class of materials with potential optoelectronic and…
Bipolaron energies are calculated as a function of wave vector by a variational method of Gurari appropriate for weak or intermediate coupling strengths, for a model with electron-phonon interactions independent of phonon wave vectors and a…
The mean-free-paths (MFPs) of energy carriers are of critical importance to the nano-engineering of better thermoelectric materials. Despite significant progress in the first-principles-based understanding of the spectral distribution of…
We study the electron and phonon spectral functions as well as superconductivity for a two dimensional electron gas couped to dipolar phonons via small-momentum transfer scattering. The results reported here are obtained through…
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…
Materials containing high densities of exceptionally displaceable ions (e.g. perovskites) have extremely large ratios of their static to high-frequency dielectric constants, > 2. Large polarons form in such materials as their electronic…
A novel type of exciton-phonon bound state -- interlayer polaron -- in a double-layer two-dimensional semiconductor with transition metal dichalcogenides as an example, is predicted. In these systems the interaction of the interlayer…
We present a detailed and self-contained theoretical study of polarons in two-dimensional (2D) polar materials, which extends the classical macroscopic theory of Fr\"ohlich polarons to the 2D case. The theory is fully determined by…
We provide a theory for the effects of polarons and phonons in mediating and suppressing the quantum tunneling of electrons into single molecules of conducting polymers, motivated by experiments on molecular quantum dots. The effects of…