Related papers: Exploring the limits of the self consistent Born a…
It is well known that at zero temperature and in the absence of electron-phonon coupling, the presence of an electric field leads to localization of carriers residing in a single band of finite bandwidth. We implement the Self-Consistent…
A dynamical method for inelastic transport simulations in nanostructures is compared with a steady-state method based on non-equilibrium Green's functions. A simplified form of the dynamical method produces, in the steady state in the…
Due to random dopant fluctuations, the device-to-device variability is a serious challenge to emerging nanoelectronics. In this work we present theoretical formalisms and numerical simulations of quantum transport variability, based on the…
We present a new formulation of the correlated electron-ion dynamics (CEID) by using equations of motion for nonequilibrium Green's functions, which generalizes CEID to a general nonequilibrium statistical ensemble that allows for a…
A self-consistent method for calculating electron transport through a molecular device is proposed. It is based on density functional theory electronic structure calculations under periodic boundary conditions and implemented in the…
We theoretically study the quantum transport in three-dimensional Weyl electron system in the presence of the charged impurity scattering using a self-consistent Born approximation (SCBA). The scattering strength is characterized by the…
Quantum transport in three-dimensional massless Dirac electron system with long-range Gaussian impurities is studied theoretically using a self-consistent Born approximation (SCBA). We find that the conductivity significantly changes the…
Computationally inexpensive approximations describing electron-phonon scattering in molecular-scale conductors are derived from the non-equilibrium Green's function method. The accuracy is demonstrated with a first principles calculation on…
We present a conceptually simple method for treating electron-phonon scattering and phonon limited mobilities. By combining Green's function based transport calculations and molecular dynamics (MD), we obtain a temperature dependent…
We study an undoped t-J model with electron-phonon interaction using the self-consistent Born approximation (SCBA). By neglecting vertex corrections, the SCBA solves a boson-holon model, where a holon couples to phonons and magnons.…
This paper investigates the mobility of electrons scattering from the coupled system of electrons and longitudinal optical (LO) phonons in n-type GaAs. The Boltzmann equation is solved exactly for low electric fields by an iterative method,…
Electronic transport is theoretically investigated in laterally confined semiconductor superlattices using the formalism of non-equilibrium Green's functions. The transport properties are calculated for nanowire superlattices of varying…
In the paper the non-linear generalization of the time blocking approximation (TBA) is presented. The TBA is one of the versions of the extended random-phase approximation (RPA) developed within the Green-function method and the…
The influence of molecular vibration on the Seebeck coefficient is studied within a simple model. Results of a scattering theory approach are compared to those of a full self-consistent non-equilibrium Green's function scheme. We show, for…
We describe a first-principles method for calculating electronic structure, vibrational modes and frequencies, electron-phonon couplings, and inelastic electron transport properties of an atomic-scale device bridging two metallic contacts…
We study dynamic nonequilibrium electron charging phenomena in ballistic molecular devices at room temperature that compromise their response to bias and whose nature is evidently distinguishable from static Schottky-type potential…
A theoretical study on the weak scattering formulation for flexural waves in thin elastic plates loaded by point-like resonators is reported. Our approach employs the Born approximation and far-field asymptotics of the Green function to…
The coupling of the charge carriers passing through a molecule bridging two bulky conductors with local vibrational modes of the molecule, gives rise to distinct features in the electronic transport properties on one hand, and to…
Electrical transport in semiconductor superlattices is studied within a fully self-consistent quantum transport model based on nonequilibrium Green functions, including phonon and impurity scattering. We compute both the drift…
In the framework of the many-electron s-d exchange model and Hubbard model, self-consistent equations are derived for the one-particle retarded Green's function in the many-electron Hubbard X-operator representation. We analyze the general…