Related papers: Developing a semiclassical Wentzel-Kramers-Brillou…
We study charge and heat transport from first-principles in the topological Weyl semimetal TaAs. Electron-phonon coupling matrix elements are calculated using density functional perturbation theory and used to derive the thermo-electric…
Magnetic topological semimetals are increasingly fueling interests in exotic electronic-thermal physics including thermoelectrics and spintronics. To control the transports of topological carriers in such materials becomes a central issue.…
The phonon thermal conductivity of semiconducting periodic solids can be obtained using the lattice dynamics calculations along with the Boltzmann transport equation and with input from density functional theory calculations. These…
We present an ab initio inelastic quantum transport approach based on maximally localized Wannier functions. Electronic-structure properties are calculated with density-functional theory in a planewave basis, and electron-vibration coupling…
Semiclassical behavior of Stark resonances is studied. The complex distortion outside a cone is introduced to study resonances in any energy region for the Stark Hamiltonians with non-globally analytic potentials. The non-trapping resolvent…
This paper is concerned with the efficient numerical computation of solutions to the 1D stationary Schr\"odinger equation in the semiclassical limit in the highly oscillatory regime. A previous approach to this problem based on explicitly…
Building on the recent success of a quantum-classical method for computing transport properties in the Holstein model with a single phonon mode [P. Mitri\'c et al., Phys. Rev. B ${\bf 111}$, L161105 (2025)], we now assess its reliability in…
We report measurements of the electrical resistivity ($\rho$) and thermoelectric power (S) in a thin film of strained single-crystalline $\alpha$-Sn grown by molecular beam epitaxy on an insulating substrate. The temperature (T) dependence…
We report electrical and thermal transport properties of polycrystalline ZrTe3. The polycrystalline sample shows semiconducting behavior in contrast to the established semi-metallic character of the compound. However the charge density wave…
The electron interaction energy of two interacting electrons in a circular quantum dot (with hard wall confinement) is investigated in the framework of the semi-classical Wentzel-Kramers-Brillouin (WKB) approximation. The two electrons are…
In the presence of external off-resonance and circularly-polarized irradiation, we have derived a many-body formalism and performed a detailed numerical analysis for both the conduction and optical currents in $\alpha-\mc{T}_3$ lattices.…
The split-operator technique for wave packet propagation in quantum systems is expanded here to the case of propagating wave functions describing Schr\"odinger particles, namely, charge carriers in semiconductor nanostructures within the…
In topological semimetals and insulators, negative longitudinal magnetoresistance and angle-dependent planar Hall effect have been reported arising from the Berry curvature. Using the Boltzmann transport theory, we present a closed-form…
We theoretically investigate the transport and magnetotransport properties of three-dimensional Weyl semimetals. Using the RPA-Boltzmann transport scattering theory for electrons scattering off randomly distributed charged impurities,…
The properties of relativistic particles in the quasiclassical region are investigated. The relativistic semiclassical wave equation appropriate in the quasiclassical region is derived. It is shown that the leading-order WKB quantization…
We combine first-principles calculations and Boltzmann transport theory to study the electrical transport properties of intermetallic compound YbAl3. To accurately predict the electronic relaxation time, we use the density functional…
We study the onset of spin-density wave order in itinerant electron systems via a two-dimensional lattice model amenable to numerically exact, sign-problem-free determinantal quantum Monte Carlo simulations. The finite-temperature phase…
The master equation for a damped spin well known from the theory of superradiance, is written as a finite-difference equation and solved by a WKB-like method. The propagator thus obtained looks like the van Vleck propagator of a certain…
This work deals with the micromechanical study of periodic thermo-diffusive elastic multi-layered materials, which are of interest for the fabrication of solid oxide fuel cells (SOFCs). The focus is on the dynamic regime, that is…
The quantum dynamics of an ultrarelativistic electron in strong counterpropagating laser beams is investigated. In contrast to the stimulated Compton scattering regime, we consider the case when in the electron rest frame the frequency of…