Related papers: A KKR Green function formalism for ballistic trans…
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 show that by integrating out the electric field and incorporating proper boundary conditions, a semiclassical Boltzmann equation can describe electron transport properties, continuously from the diffusive to ballistic regimes. General…
This article studies multiple scattering of matter waves by a disordered optical potential in two and in three dimensions. We calculate fundamental transport quantities such as the scattering mean free path $\ell_s$, the Boltzmann transport…
The theoretical investigation of charge (and spin) transport at nanometer length scales requires the use of advanced and powerful techniques able to deal with the dynamical properties of the relevant physical systems, to explicitly include…
We present a scheme for calculating coherent electron transport in atomic-scale contacts. The method combines a formally exact Green's function formalism with a mean-field description of the electronic structure based on the Kohn-Sham…
This thesis is divided into two major parts. Part I provides an overview of some of the most important formalisms of transport theory, while Part II provides a presentation and discussion of my own work. The order in which these parts are…
In the theory of optimal transport, the Knothe-Rosenblatt (KR) rearrangement provides an explicit construction to map between two probability measures by building one-dimensional transformations from the marginal conditionals of one measure…
We present a method to systematically study multi-photon transmission in one dimensional systems comprised of correlated quantum emitters coupled to input and output waveguides. Within the Green's function approach of the scattering matrix…
An efficient implementation of the nonequilibrium Green function (NEGF) method combined with the density functional theory (DFT) using localized pseudo-atomic orbitals (PAOs) is presented for electronic transport calculations of a system…
We use the full multiple scattering expansion of the retarded self-energy to obtain the gain and loss rates present in the Kadanoff-Baym relativistic transport equation. The rates we obtain include processes with any number of particles. As…
Using a Lagrangian which contains quarks as elementary degrees of freedom and mesons as bound states, a transport formalism is developed, which allows for a dynamical transition from a quark plasma to a state, where quarks are bound into…
One of the fundamental properties of semiconductors is their ability to support highly tunable electric currents in the presence of electric fields or carrier concentration gradients. These properties are described by transport coefficients…
An accurate expression of the kinetic energy density of an electronic distribution in terms of the single particle reduced density matrix for atomic and molecular systems is a long-standing problem in electron structure theory. Existing…
We propose a Schr\"odinger equation of arbitrary order for modeling charge transport in semiconductors operating in the ballistic regime. This formulation incorporates non-parabolic effects through the Kane dispersion relation, thereby…
We do parametric calculations to elucidate multi-terminal electron transport properties through a molecular system where a single phenalenyl molecule is attached to semi-infinite one-dimensional metallic leads. A formalism based on the…
We study the nonlinear elastic quantum electronic transport properties of nanoscopic devices using the Nonequilibrium Green's function (NEGF) method. The Green's function method allows us to expand the $I-V$ characteristics of a given…
Quantum transport properties through single polycyclic hydrocarbon molecules attached to two metallic electrodes are studied by the use of Green's function technique. A parametric approach based on the tight-binding model is introduced to…
A pedagogical introduction to matrix Green's function, focusing on its application to steady state transport through discrete-level quantum systems. Topics covered in the notes: 1. Retarded Green's function, spectral function and density of…
We consider resonant transport through a molecular quantum dot coupled to a local vibration mode. Applying the non-equilibrium Green function technique in the polaron representation, we develop a non-perturbative scheme to calculate the…
This review deals with the nonequilibrium Green's function (NEGF) method applied to the problems of energy transport due to atomic vibrations (phonons), primarily for small junction systems. We present a pedagogical introduction to the…