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A new approximate computational framework is proposed for computing the non-equilibrium charge density in the context of the non-equilibrium Green's function (NEGF) method for quantum mechanical transport problems. The framework consists of…

Computational Physics · Physics 2015-05-20 Quan Chen , Jun Li , Chiyung Yam , Yu Zhang , Ngai Wong , Guanhua Chen

We theoretically investigate charge transport through serial double quantum dots (SDQDs) with strong electron correlations using nonequilibrium Green's function techniques. In the linear response regime, we compute the charge stability…

Mesoscale and Nanoscale Physics · Physics 2025-04-29 David M T Kuo

The transport and gain properties of quantum cascade (QC) structures are investigated using a nonequilibrium Green's function (NGF) theory which includes quantum effects beyond a Boltzmann transport description. In the NGF theory, we…

Mesoscale and Nanoscale Physics · Physics 2009-11-07 S. -C. Lee , A. Wacker

We consider tunneling of spinless electrons from a single channel emitter into an empty collector through an interacting resonant level of the quantum dot (QD). When all Coulomb screening of sudden charge variations of the dot during the…

Strongly Correlated Electrons · Physics 2019-05-22 V. V. Ponomarenko , I. A. Larkin

We derive a closed equation of motion for the one particle density matrix of a quantum system coupled to multiple baths using the Redfield master equation combined with a mean-field approximation. The steady-state solution may be found…

Mesoscale and Nanoscale Physics · Physics 2020-09-30 Zekun Zhuang , Jaime Merino , J. B. Marston

We study non-equilibrium (NE) fluctuation-dissipation (FD) relations in the context of quantum thermoelectric transport through a two-terminal nanodevice, in the steady-state and with interaction. The FD relations for the one- and…

Mesoscale and Nanoscale Physics · Physics 2013-05-23 H. Ness , L. K. Dash

In this work, we propose an efficient computational scheme for first-principle quantum transport simulations to evaluate the open-boundary conditions. Its partitioning differentiates from conventional methods in that the contact self-energy…

Materials Science · Physics 2021-01-01 Guido Gandus , Youseung Lee , Daniele Passerone , Mathieu Luisier

As the characteristic lengths of advanced electronic devices are approaching the atomic scale, ab initio simulation method, with fully consideration of quantum mechanical effects, becomes essential to study the quantum transport phenomenon…

Mesoscale and Nanoscale Physics · Physics 2019-07-17 Meng Ye , Xiangwei Jiang , Shu-Shen Li , Lin-Wang Wang

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…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 San-Huang Ke , Harold U. Baranger , Weitao Yang

The resonant-level model represents a paradigmatic quantum system which serves as a basis for many other quantum impurity models. We provide a comprehensive analysis of the non-equilibrium transport near a quantum phase transition in a…

Mesoscale and Nanoscale Physics · Physics 2015-06-12 Chung-Hou Chung , Karyn Le Hur , Gleb Finkelstein , Matthias Vojta , Peter Woelfle

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…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 Alex Zazunov , Thierry Martin

Continued improvement of heat control in mesoscopic conductors brings novel tools for probing strongly correlated electron phenomena. Motivated by these advances, we comprehensively study transport due to a temperature bias in a quantum…

Mesoscale and Nanoscale Physics · Physics 2026-02-04 Matteo Acciai , Gu Zhang , Christian Spånslätt

Time-dependent quantum transport for graphene nanoribbons (GNR) are calculated by the hierarchical equation of motion (HEOM) method based on the nonequilibrium Green's function (NEGF) theory (Xie et.al, J. Chem. Phys. 137, 044113, 2012). In…

Mesoscale and Nanoscale Physics · Physics 2013-04-02 Hang Xie , Yanho Kwok , Yu Zhang , Feng Jiang , Xiao Zheng , YiJing Yan , GuanHua Chen

Here, we report a prominent quantum oscillation in the conductance of 2H-MoTe2 based resonant tunneling structure. In this work, a n-WSe2/HfO2/i-MoTe2/HfO2/Au resonant tunneling device (RTD) with a symmetric and asymmetric double barrier…

Mesoscale and Nanoscale Physics · Physics 2025-06-06 Abir Mukherjee , Kajal Sharma , Kamlesh Bhatt , Santanu Kandar , Rajendra Singh , Samaresh Das

Since proposed in the 70s, the Non-Equilibrium Green Function (NEGF) method has been recognized as a standard approach to quantum transport simulations. Although it achieves superiority in simulation accuracy, the tremendous computational…

Mesoscale and Nanoscale Physics · Physics 2023-12-05 Yingzhanghao Zhou , Xiang Chen , Peng Zhang , Jun Wang , Lei Wang , Hong Guo

We examine the electronic heat transport phenomena in nanoscale junctions composed of organic molecules coupled to two metallic reservoirs of different temperatures. The electronic heat flux and its dynamical noise properties are calculated…

Mesoscale and Nanoscale Physics · Physics 2016-08-02 Arthur Luniewski , Rita Aghjayan , Kamil Walczak

This chapter of "The Oxford Handbook of Nanoscience and Technology: Frontiers and Advances" reviews nonequilibrium Green function (NEGF) approach to modeling spin current generation, transport, and detection in semiconductor nanostructures…

Mesoscale and Nanoscale Physics · Physics 2009-07-24 Branislav K. Nikolic , Liviu P. Zarbo , Satofumi Souma

We construct a real time current-conserving functional renormalization group (RG) scheme on the Keldysh contour to study frequency-dependent transport and noise through a quantum dot in the local moment regime. We find that the current…

Mesoscale and Nanoscale Physics · Physics 2011-06-13 C. P. Moca , P. Simon , C. H. Chung , G. Zarand

We study the behavior of shot noise in resonant tunneling junctions far from equilibrium. Quantum-coherent elastic charge transport can be characterized by a transmission function, that is the probability for an incoming electron at a given…

Mesoscale and Nanoscale Physics · Physics 2019-02-19 Anqi Mu , Dvira Segal

We consider electron transport in a Kitaev chain connected at its two ends to normal metallic leads kept at different temperatures and chemical potentials. Transport in this set-up is usually studied using two frameworks -- the…

Superconductivity · Physics 2021-01-19 Junaid Majeed Bhat , Abhishek Dhar
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