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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…

介观与纳米尺度物理 · 物理学 2007-05-23 M. P. Anantram , M. S. Lundstrom , D. E. Nikonov

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 review one of the most versatile theoretical approaches to the study of time-dependent correlated quantum transport in nano-systems: the non-equilibrium Green's function (NEGF) formalism. Within this formalism, one can treat, on the same…

介观与纳米尺度物理 · 物理学 2022-06-27 M. Ridley , N. W. Talarico , D. Karlsson , N. Lo Gullo , R. Tuovinen

A quantum transport model incorporating spin scattering processes is presented using the non-equilibrium Green's function (NEGF) formalism within the self-consistent Born approximation. This model offers a unified approach by capturing the…

介观与纳米尺度物理 · 物理学 2009-11-11 Ahmet Ali Yanik , Gerhard Klimeck , Supriyo Datta

The Non-Equilibrium Green's Function (NEGF) method combined with ab initio calculations has been widely used to study charge transport in molecular junctions. However, the significant computational demands of high-resolution calculations…

计算物理 · 物理学 2026-05-19 Xuan Ji , Qiang Qi , Yueqi Chen , Chen Zhou , Xi Yu

Through the Non-Equilibrium Green's Function (NEGF) formalism, quantum-scale device simulation can be performed with the inclusion of electron-phonon scattering. However, the simulation of realistically sized devices under the NEGF…

介观与纳米尺度物理 · 物理学 2015-05-27 Stephen Cauley , Mathieu Luisier , Venkataramanan Balakrishnan , Gerhard Klimeck , Cheng-Kok Koh

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…

其他凝聚态物理 · 物理学 2023-04-04 David K. Ferry

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…

介观与纳米尺度物理 · 物理学 2009-07-14 Alexis R. Hernández , Caio H. Lewenkopf

We present an efficient implemention of a non-equilibrium Green function (NEGF) method for self-consistent calculations of electron transport and forces in nanostructured materials. The electronic structure is described at the level of…

介观与纳米尺度物理 · 物理学 2015-06-04 Jingzhe Chen , Kristian S. Thygesen , Karsten W. Jacobsen

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…

介观与纳米尺度物理 · 物理学 2012-06-14 U. Aeberhard

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…

介观与纳米尺度物理 · 物理学 2013-05-28 Jian-Sheng Wang , Bijay Kumar Agarwalla , Huanan Li , Juzar Thingna

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…

介观与纳米尺度物理 · 物理学 2025-04-09 Vahid Mosallanejad , Kuei-Lin Chiu , Wenjie Dou

The non-equilibrium Green's function method combined with density functional theory (NEGF-DFT) provides a rigorous framework for simulating nanoscale electronic transport, but its computational cost scales steeply with system size. Recent…

介观与纳米尺度物理 · 物理学 2025-10-21 Zili Tang , Xiaoxin Xie , Guanwen Yao , Ligong Zhang , Xiaoyan Liu , Xing Zhang , Liu Fei

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…

The continuous scaling of metal-oxide-semiconductor field-effect transistors (MOSFETs) has led to device geometries where charged carriers are increasingly confined to ever smaller channel cross sections. This development is associated with…

介观与纳米尺度物理 · 物理学 2026-01-26 Leonard Deuschle , Jiang Cao , Alexandros Nikolaos Ziogas , Anders Winka , Alexander Maeder , Nicolas Vetsch , Mathieu Luisier

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…

介观与纳米尺度物理 · 物理学 2010-04-28 Denis A. Areshkin , Branislav K. Nikolic

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…

介观与纳米尺度物理 · 物理学 2023-12-05 Yingzhanghao Zhou , Xiang Chen , Peng Zhang , Jun Wang , Lei Wang , Hong Guo

We employ Non-equilibrium Green's functions (NEGF) to describe the real-time dynamics of an adsorbate-surface model system exposed to ultrafast laser pulses. For a finite number of electronic orbitals, the system is solved exactly and…

介观与纳米尺度物理 · 物理学 2016-05-04 E. Boström , M. Hopjan , A. Kartsev , C. Verdozzi , C. -O. Almbladh

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…

介观与纳米尺度物理 · 物理学 2019-07-17 Meng Ye , Xiangwei Jiang , Shu-Shen Li , Lin-Wang Wang

Quantum transport simulations are essential for understanding and designing nanoelectronic devices, yet the long-standing trade-off between accuracy and computational efficiency has limited their practical applications. We present…

介观与纳米尺度物理 · 物理学 2025-07-15 Jijie Zou , Zhanghao Zhouyin , Dongying Lin , Yike Huang , Linfeng Zhang , Shimin Hou , Qiangqiang Gu
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