Related papers: A theoretical model for single molecule incoherent…
We present a comprehensive phenomenological analysis of the calorimetric electron capture (EC) decay spectrum of $^{163}$Ho as measured by the HOLMES experiment. Using high-statistics data, we unfold the instrumental energy resolution from…
In this work, the transport of tunnel field-effect transistor (TFET) based on vertically stacked hereto-structures from 2D transition metal dichalcogenide (TMD) materials is investigated by atomistic quantum transport simulations. WTe2-MoS2…
We have investigated the effect on phonon energy transport in mesoscopic systems and the reduction in the thermal conductance in the quantum limit due to phonon scattering by surface roughness using full 3-dimensional elasticity theory for…
We develop a general theory for thermal transport in anharmonic systems under the weak system-bath coupling approximation similar to the quantum master equation formalism. A current operator is derived, which is valid not only in the steady…
We overview nonequilibrium Green function combined with density functional theory (NEGF-DFT) modeling of independent electron and phonon transport in nanojunctions with applications focused on a new class of thermoelectric devices where a…
Temperature ($T$) dependent conductance $G = G(T)$ data measured in molecular junctions are routinely taken as evidence for a two-step hopping mechanism. The present paper emphasizes that this is not necessarily the case. A curve of $\ln G$…
The success of a ferroelectric tunnel junction (FTJ) depends on the asymmetry of electron tunneling as given by the tunneling electroresistance (TER) effect. This characteristic is mainly assessed considering three transport mechanisms:…
We report calculations of high electric field transport for the case of a strained Si/GeSi double heterostructure (DHS) considering transport along the Si channel and by applying the analytical Fokker-Planck approach (FPA), where the…
Density functional theory (DFT) combined with non-equilibrium Greens functions (NEGF) is a powerful approach to model quantum transport under external bias potentials, at reasonable computational cost. In this work we present a new…
We set up a set of many-body kinetic Bloch equations with spacial inhomogeneity. We reexamine the widely adopted quasi-independent electron model (QIEM) and show the inadequacy of this model in studying the spin transport. We further point…
We study the influence of inelastic electron-electron scattering on the temperature variation of the Seebeck coefficient in the normal phase of quasi-one-dimensional organic superconductors. The theory is based on the numerical solution of…
Hexagonal boron nitride (hBN) has emerged as a promising two-dimensional host for stable single-photon emission owing to its wide bandgap, high photostability, and compatibility with nanophotonic integration. We present a simulation-based…
We analyze a class of bottom-up holographic models for low energy thermo-electric transport. The models we focus on belong to a family of Einstein-Maxwell-dilaton theories parameterized by two scalar functions, characterizing the dilaton…
Quantum emitters in two-dimensional hexagonal boron nitride (h-BN) have generated significant interest due to observations of ultra-bright emission made at room temperature. The expectation that solid-state emitters exhibit broad…
We discuss the steady-state electronic transport in solid-state and molecular devices in the quantum regime. The decimation technique allows a comprehensive description of the electronic structure. Such a method is used, in conjunction with…
We analyze ultrafast tunneling experiments in which electron transport through a localized orbital is induced by a single cycle THz pulse. We include both electron-electron and electron-phonon interactions on the localized orbital using the…
We study how energy transport in an integrable system is affected by the spectral densities of heat reservoirs. The model investigated here is the quantum harmonic chain whose both ends are in contact with two heat reservoirs at different…
Photothermal spectroscopy and microscopy provides a route to measure the spectral and spatial properties of individual nanoscopic absorbers, independent from scattering, extinction, and emission. The approach relies upon use of two light…
We present an efficient implemention of a non-equilibrium Green function (NEGF) method for self-consistent calculations of electron transport and forces in nanostructured materials. The electronic structure is described at the level of…
The effects of water wetting conditions on the transport properties of molecular nano-junctions are investigated theoretically by using a combination of classical molecular dynamics and first principles electronic transport calculations.…