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Electron transport and quantum conductance through an armchair graphene and its oxidized graphene- containing form were investigated by the density functional theory (DFT) method and the implementation of the non-equilibrium Green function…

Mesoscale and Nanoscale Physics · Physics 2015-01-29 Badie Ghavami , Alireza Rastkar-Ebrahimzadeh

Molecule-electrode interfaces in molecular electronic junctions are prone to chemical reactions, structural changes, and localized heating effects caused by electric current. These can be exploited for device functionality or may be…

Mesoscale and Nanoscale Physics · Physics 2020-04-22 Riley J. Preston , Vincent F. Kershaw , Daniel S. Kosov

We formulate a semiclassical theory for electron transport in open quantum systems with electron-phonon interactions adequate for situations when the system's phonon dynamics is comparable with the electron transport timescale. Starting…

Mesoscale and Nanoscale Physics · Physics 2025-08-26 Maicol A. Ochoa

III-V tunneling field-effect transistors (TFETs) offer great potentials in future low-power electronics application due to their steep subthreshold slope and large "on" current. Their 3D quantum transport study using non-equilibrium Green's…

Mesoscale and Nanoscale Physics · Physics 2016-10-04 Jun Z. Huang , Lining Zhang , Pengyu Long , Michael Povolotskyi , Gerhard Klimeck

Electron correlation and quantum interference are pivotal in mesoscopic transport. We theoretically study the nonequilibrium transport dynamics of a triangular triple quantum dot (TTQD) molecule connected to fermionic reservoirs using the…

Mesoscale and Nanoscale Physics · Physics 2026-03-13 Shuo Dong , Junqing Li , Jianhua Wei

Designing nanoscale electronic devices such as the currently manufactured nanoribbon field-effect transistors (NRFETs) requires advanced modeling tools capturing all relevant quantum mechanical effects. State-of-the-art approaches combine…

In this work, we investigate the transport phenomena in compound semiconductor material based buried channel Quantum Well MOSFET with a view to developing a simple and effective model for the device current. Device simulation has been…

Mesoscale and Nanoscale Physics · Physics 2020-06-14 Ehsanur Rahman , Abir Shadman , Sudipta Romen Biswas , Kanak Datta , Quazi D. M. Khosru

We study a system of two non-interacting quantum wires with fermions of opposite chirality with a point contact junction at the origin across which tunneling can take place when an arbitrary time-dependent bias between the wires is applied.…

Mesoscale and Nanoscale Physics · Physics 2022-02-02 Nikhil Danny Babu , Girish S. Setlur

Simulations of quantum transport in coherent conductors have evolved into mature techniques that are used in fields of physics ranging from electrical engineering to quantum nanoelectronics and material science. The most efficient…

Mesoscale and Nanoscale Physics · Physics 2019-12-25 Mathieu Istas , Christoph Groth , Xavier Waintal

Transport properties of 2D materials especially close to their boundary has received much attention after the successful fabrication of graphene and other fascinating materials afterwards. While most previous work is devoted to the…

Mesoscale and Nanoscale Physics · Physics 2016-12-15 Fanbing Xia , Jian Wang

Charge transfer plays a crucial role in many processes of interest in physics, chemistry, and bio-chemistry. In many applications the size of the systems involved calls for time-dependent density functional theory (TDDFT) to be used in…

Chemical Physics · Physics 2017-10-11 Neepa T. Maitra

In the present work, we theoretically study the nonlinear regime of charge transport through a quantum dot coupled to the source and drain reservoirs. The investigation is carried out using a nonequilibrium Green's functions formalism…

Mesoscale and Nanoscale Physics · Physics 2015-12-01 Natalya A. Zimbovskaya

The nonequilibrium Green's functions (NEGF) approach is a versatile theoretical tool, which allows to describe the electronic structure, spectroscopy and dynamics of strongly correlated systems. The applicability of this method is, however,…

Strongly Correlated Electrons · Physics 2018-06-27 Michael Schüler , Martin Eckstein , Philipp Werner

Quantum devices featuring mid-circuit measurement and reset capabilities, such as quantum computers and dual-species Rydberg quantum simulators, enable the realization of quantum cellular automata. These systems evolve in discrete time…

Quantum Physics · Physics 2026-04-01 Uddhav Sen , Federico Carollo , Sascha Wald

We derive an exact quantum equation of motion for the photon Wigner operator in non-commutative QED, which is gauge covariant. In the classical approximation, this reduces to a simple transport equation which describes the hard thermal…

High Energy Physics - Theory · Physics 2008-11-26 F. T. Brandt , Ashok Das , J. Frenkel

The nonequilibrium dynamics of strongly-correlated fermions in lattice systems have attracted considerable interest in the condensed matter and ultracold atomic-gas communities. While experiments have made remarkable progress in recent…

Strongly Correlated Electrons · Physics 2017-05-03 N. Schluenzen , J. -P. Joost , F. Heidrich-Meisner , M. Bonitz

Driven by Moore's Law, the dimensions of transistors have been pushed down to the nanometer scale. Advanced quantum transport (QT) solvers are required to accurately simulate such nano-devices. The non-equilibrium Green's function (NEGF)…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-01-09 Vincent Maillou , Matthias Bollhofer , Olaf Schenk , Alexandros Nikolaos Ziogas , Mathieu Luisier

We consider the electron transport properties through fully interacting nanoscale junctions beyond the linear-response regime. We calculate the current flowing through an interacting region connected to two interacting leads, with…

Mesoscale and Nanoscale Physics · Physics 2012-04-26 H. Ness , L. K. Dash

We investigate bias-driven non-equilibrium quantum phase transitions in a paradigmatic quantum-transport setup: an interacting quantum dot coupled to non-interacting metallic leads. Using the Random Phase Approximation, which is exact in…

Strongly Correlated Electrons · Physics 2026-01-29 José F. B. Afonso , Stefan Kirchner , Pedro Ribeiro

Modern quantum experiments provide examples of transport with non-commuting quantities, offering a tool to understand the interplay between thermal and quantum effects. Here we set forth a theory for non-Abelian transport in the linear…

Quantum Physics · Physics 2022-01-10 Gonzalo Manzano , Juan M. R. Parrondo , Gabriel T. Landi