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The Non-equilibrium Green's function (NEGF) formalism is a particularly powerful method to simulate the quantum transport properties of nanoscale devices such as transistors, photo-diodes, or memory cells, in the ballistic limit of…

We aim to provide engineers with an introduction to the non-equilibrium Green's function (NEGF) approach, which provides a powerful conceptual tool and a practical analysis method to treat small electronic devices quantum mechanically and…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 M. P. Anantram , M. S. Lundstrom , D. E. Nikonov

The non-equilibrium Green's function (NEGF) approach offers a practical framework for simulating various phenomena in mesoscopic systems. As the dimension of electronic devices shrinks to just a few nanometers, the need for new…

Mesoscale and Nanoscale Physics · Physics 2025-04-09 Vahid Mosallanejad , Kuei-Lin Chiu , Wenjie Dou

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…

Mesoscale and Nanoscale Physics · Physics 2009-07-14 Alexis R. Hernández , Caio H. Lewenkopf

Real-time nonequilibrium Green functions (NEGF) have been very successful to simulate the dynamics of correlated many-particle systems far from equilibrium. However, NEGF simulations are computationally expensive since the effort scales…

Strongly Correlated Electrons · Physics 2023-12-27 Karsten Balzer , Niclas Schlünzen , Hannes Ohldag , Jan-Philip Joost , Michael Bonitz

The nonequilibrium Green's function (NEGF) method is often used to predict transport in atomistically resolved nanodevices and yields an immense numerical load when inelastic scattering on phonons is included. To ease this load, this work…

Computational Physics · Physics 2020-07-22 Daniel A. Lemus , James Charles , Tillmann Kubis

The use of ensemble Monte Carlo (EMC) methods for the simulation of transport in semiconductor devices has become extensive over the past few decades. This method allows for simulation utilizing particles while addressing the full physics…

Other Condensed Matter · Physics 2023-04-04 David K. Ferry

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 derive a general expression for the electron nonequilibrium (NE) distribution function in the context of steady state quantum transport through a two-terminal nanodevice with interaction. The central idea for the use of NE distributions…

Mesoscale and Nanoscale Physics · Physics 2014-02-26 H. Ness

The recent fabrication of graphene nanoribbon (GNR) field-effect transistors poses a challenge for first-principles modeling of carbon nanoelectronics due to many thousand atoms present in the device. The state of the art quantum transport…

Mesoscale and Nanoscale Physics · Physics 2010-04-28 Denis A. Areshkin , Branislav K. Nikolic

A formalism for incorporating electron-phonon scattering into the nonequilibrium Green's function (NEGF) framework that is applicable to planar MOSFETs is presented. Restructuring the NEGF equations in terms of approximate summation of…

Mesoscale and Nanoscale Physics · Physics 2012-09-24 Himadri S. Pal , Dmitri E. Nikonov , Raseong Kim , Mark S. Lundstrom

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

This work describes a novel simulation approach that combines machine learning and device modelling simulations. The device simulations are based on the quantum mechanical non-equilibrium Greens function (NEGF) approach and the machine…

Computational Engineering, Finance, and Science · Computer Science 2023-09-19 Preslav Aleksandrov , Ali Rezaei , Nikolas Xeni , Tapas Dutta , Asen Asenov , Vihar Georgiev

We present an atomistic quantum transport simulation framework based on the Non-Equilibrium Green's Function (NEGF) formalism to model impact ionization in semiconductor avalanche devices, with direct relevance to near-term quantum…

Quantum Physics · Physics 2026-05-05 Colin Burdine , Nischal Binod Gautam , Enrique P. Blair

This paper discusses the technical aspects - mathematical and numerical - associated with the numerical simulations of a mesoscopic system in the time domain (i.e. beyond the single frequency AC limit). After a short review of the state of…

Mesoscale and Nanoscale Physics · Physics 2014-04-04 Benoit Gaury , Joseph Weston , Matthieu Santin , Manuel Houzet , Christoph Groth , Xavier Waintal

State-of-the-art industrial semiconductor device modeling is based on highly efficient Drift-Diffusion (DD) models that include some quantum corrections for nanodevices. In contrast, latest academic quantum transport models are based on the…

This article reviews the application of the non-equilibrium Green's function formalism to the simulation of novel photovoltaic devices utilizing quantum confinement effects in low dimensional absorber structures. It covers well-known…

Mesoscale and Nanoscale Physics · Physics 2012-06-14 U. Aeberhard

In this work we present a simulation of the semiconductor electrodes of photoelectrochemical (PEC) water splitting cells based on the nonequilibrium Green's function (NEGF) formalism. While the performance of simple PEC cells can be…

Mesoscale and Nanoscale Physics · Physics 2023-11-06 Lassi Hällström , Ilkka Tittonen

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

In semi-classical transport, it has become common practice over the past few decades to use ensemble Monte Carlo (EMC) methods for the simulation of transport in semiconductor devices. This method utilizes particles while still addressing…

Mesoscale and Nanoscale Physics · Physics 2023-05-31 David K. Ferry
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