Related papers: Exploring the Influence of Dynamic Disorder on Tra…
We study the real-time dynamics of local occupation numbers in a one-dimensional model of spinless fermions with a random on-site potential for a certain class of initial states. The latter are thermal (mixed or pure) states of the model in…
We theoretically study the transport properties of both monolayer and bilayer graphene in the presence of electron-hole puddles induced by charged impurities which are invariably present in the graphene environment. We calculate the…
We studied the influence of oxygen on the electronic trap states in a pentacene thin film. This was done by carrying out gated four-terminal measurements on thin-film transistors as a function of temperature and without ever exposing the…
The broad use of organic semiconductors for optoelectronic applications relies on quantitative understanding and control of their spectroscopic properties. Of paramount importance are the transport gap - the difference between ionization…
We study the curvature-induced bound states and the coherent transport properties for a particle constrained to move on a truncated cone-like surface. With longitudinal hard wall boundary condition, the probability densities and spectra…
The electron transport in a 1D conductor with an isolated local defect such as an impurity or a non-adiabatic contact is studied theoretically. New regime of conduction in correlated 1D systems is predicted beyond the well-known regime of…
We study the electric and thermal transport of the Dirac carriers in monolayer graphene using the Boltzmann-equation approach. Motivated by recent thermopower measurements [F. Ghahari, H.-Y.~Xie, T. Taniguchi, K. Watanabe, M.~S.~Foster, and…
The strain effect on electronic structure and thermoelectric properties of Higher Manganese Silicides (HMSs) Mn4Si7 was studied using Density Functional Theory (DFT) and through solving Boltzman Transport Equation (BTE). We found that the…
The effect of thermal structural fluctuations on the modulation of the transfer integrals between close molecules is studied using a combination of molecular dynamics simulations and quantum chemical calculations of the transfer integral.…
Boltzmann transport calculations based on band structures generated with density functional theory (DFT) are often used in the discovery and analysis of thermoelectric materials. In standard implementations, such calculations require dense…
We study the intrinsic transport properties of suspended graphene devices at high fields (>1 V/um) and high temperatures (>1000 K). Across 15 samples, we find peak (average) saturation velocity of 3.6x10^7 cm/s (1.7x10^7 cm/s), and peak…
The superconducting state of the heavy-fermion metal UTe$_2$ has attracted considerable interest because of evidence for spin-triplet Cooper pairing and non-trivial topology. Progress on these questions requires identifying the presence or…
With the objective to understand microscopic principles governing thermal energy flow in nanojunctions, we study phononic heat transport through metal-molecule-metal junctions using classical molecular dynamics (MD) simulations. Considering…
We have studied the transport coefficients as a tool to probe the collision integral appeared in the Boltzmann equation. For this purpose, we have estimated the transport coefficients (momentum: \{$\eta$,$\zeta$\}, heat: \{$\kappa$\}, and…
The results of flux-driven, two-fluid simulations in single-null configurations are used to investigate the processes determining the turbulent transport in the tokamak edge. Three turbulent transport regimes are identified: (i) a developed…
For the nanoscale structures, disorder scattering plays a vital role in the carriers' transport, including electrons and high-frequency phonons. The capability for effectively treating the disorders, including both diagonal and off-diagonal…
We theoretically study transport in two-dimensional semimetals. Typically, electron and hole puddles emerge in the transport layer of these systems due to smooth fluctuations in the potential. We calculate the electric response of the…
We develop an Effective Medium Theory to study the electrical transport properties of disordered graphene. The theory includes non-linear screening and exchange-correlation effects allowing us to consider experimentally relevant strengths…
Quantum dots connected to larger systems containing a continuum of states like charge reservoirs allow the theoretical study of many-body effects such as the Coulomb blockade and the Kondo effect. Here, we analyze the nonequilibrium Kondo…
Motivated by recent experiments, we study the variability of the thermal conductance of single dithiolated alkane molecules of varying length connecting two gold electrodes. For this purpose, we examine (i) the influence of the…