Related papers: Semiconductor phonon and charge transport Monte Ca…
Despite the ubiquity of applications of heat transport across nanoscale interfaces, including integrated circuits, thermoelectrics, and nanotheranostics, an accurate description of phonon transport in these systems remains elusive. Here we…
We develop an electron transport theory for the hybrid system of a semiconducting carbon nanotube that encapsulates a one-atom-thick metallic wire. The theory predicts Fano resonances in electron transport through the system, whereby the…
$\beta$-Gallium Oxide (Ga$_{2}$O$_{3}$) is an extensively investigated ultrawide-bandgap semiconductor for potential applications in power electronics and RF switching. The room temperature bulk electron mobility ($\sim$200…
Anisotropic-gap and two-band effects smear out the superconducting transition (Tc) in literature reported thermal conductivity of MgB2, where large electronic contributions also suppress anomaly-manifestation in their negligible…
The electronic transport behaviour of materials determines their suitability for technological applications. We develop an efficient method for calculating carrier scattering rates of solid-state semiconductors and insulators from first…
We study thermal transport in a chain of coupled atoms, which can vibrate in longitudinal as well as transverse directions. The particles interact through anharmonic potentials upto cubic order. The problem is treated quantum mechanically.…
Progress in the development of coupled atomistic-continuum methods for simulations of critical dynamic material behavior has been hampered by a spurious wave reflection problem at the atomistic-continuum interface. This problem is mainly…
We summarize semiclassical modeling methods, including drift-diffusion, kinetic transport equation and Monte Carlo simulation approaches, utilized in studies of spin dynamics and transport in semiconductor structures. As a review of the…
The electron transport in the two-dimensional gas formed in tensile-strained Si1-xGex/Si/Si1-xGex heterostructures is investigated using Monte Carlo simulation. At first the electron mobility is studied in ungated modulation doped…
The Dirac dispersion of graphene limits the phase space available for energy transport between electrons and acoustic phonons at temperatures above the Bloch-Grueneisen temperature. Consequently, energy transport can be dominated by…
The thermal properties of graphitic ribbon are investigated based on Brenner's empirical potential. The reliability and usefulness of the empirical potential to address the thermal properties of covalent-bonded carbon nanostructures are…
Monte Carlo-transport codes are designed to simulate the complex neutron transport physics associated with nuclear systems. These codes are tasked with simulating phenomena such as temperature effects on cross-sections, thermo-physical…
We introduce methodologies for highly scalable quantum Monte Carlo simulations of electron-phonon models, and report benchmark results for the Holstein model on the square lattice. The determinant quantum Monte Carlo (DQMC) method is a…
Two-dimensional (2D) semiconductors have demonstrated great potential for next-generation electronics and optoelectronics. An important property for these applications is the phonon-limited charge carrier mobility. The common approach to…
Phonon transport across a vacuum gap separating intrinsic silicon crystals is predicted via the atomistic Green's function method combined with first-principles calculations of all interatomic force constants. The overlap of electron wave…
$\underline{\textbf{MO}}$nte-carlo $\underline{\textbf{N}}$ucleon transport $\underline{\textbf{C}}$ode (MONC) for nucleon transport is being developed for several years. Constructive Solid Geometry concept is applied with the help of solid…
Superconducting detectors with sub-eV energy resolution have demonstrated success setting limits on Beyond the Standard Model (BSM) physics due to their unique sensitivity to low-energy events. G4CMP, a Geant4-based extension for condensed…
We consider dynamics of charged solitons in branched conducting polymers. An effective model based on the sine-Gordon equation on metric graphs is used for computing the charge transport and scattering of charge carriers at the polymer…
The Monte Carlo program CATCH (Capture And Transport of CHarged particles in a crystal) for the simulation of planar channelling in bent crystals is presented. The program tracks a charged particle through the distorted-crystal lattice with…
We report on the temperature dependent electron transport in graphene at different carrier densities $n$. Employing an electrolytic gate, we demonstrate that $n$ can be adjusted up to 4$\times10^{14}$cm$^{-2}$ for both electrons and holes.…