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Related papers: Modeling of Nanoscale Devices

200 papers

We present an overview of electronic device modeling using non-equilibrium Green function techniques. The basic approach developed in the early 1970s has become increasingly popular during the last 10 years. The rise in popularity was…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Roger K. Lake , Rajeev R. Pandey

We study the electronic transport through uniformly bent carbon nanotubes. For this purpose, we describe the nanotube with the tight-binding model and calculate the local current flow by employing non-equilibrium Green's functions (NEGF) in…

Mesoscale and Nanoscale Physics · Physics 2023-05-26 Eric Kleinherbers , Thomas Stegmann , Nikodem Szpak

We predict two different universal scaling regimes for the quantum transmission of metallic nanodevices following the addition of a small amount of uncorrelated disorder. A nanodevice is connected to two thin semi-infinite uniform leads,…

Mesoscale and Nanoscale Physics · Physics 2026-01-01 M. A. Novotny , Tomáš Novotný

We have modeled transport properties of nanostructures using the Green's function method within the framework of the density-functional theory. The scheme is computationally demanding so that numerical methods have to be chosen carefully. A…

Computational Physics · Physics 2007-05-23 Paula Havu , Ville Havu , Martti J. Puska , Mikko H. Hakala , Adam S. Foster , Risto M. Nieminen

In recent past extensive device simulation work has already been done on TFETs. Various ways have been suggested to model TFETs. In our paper we look at one such particular way to model these devices. The Non equilibrium green's formalism…

Mesoscale and Nanoscale Physics · Physics 2011-05-27 Rahul Mishra , Bahniman Ghosh

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…

Mesoscale and Nanoscale Physics · Physics 2013-11-14 Yu Zhu , Lei Liu , Hong Guo

We present an ab initio approach to electronic transport in nanoscale systems which includes electronic correlations through the GW approximation. With respect to Landauer approaches based on density-functional theory (DFT), we introduce a…

Mesoscale and Nanoscale Physics · Physics 2010-09-08 Pierre Darancet , Andrea Ferretti , Didier Mayou , Valerio Olevano

The concept of transmission eigenchannels is described in a tight-binding nonequilibrium Green's function (NEGF) framework. A simple procedure for calculating the eigenchannels is derived using only the properties of the device subspace and…

Mesoscale and Nanoscale Physics · Physics 2011-11-09 Magnus Paulsson , Mads Brandbyge

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

To explore whether the density-functional theory non-equilibrium Green's function formalism (DFT-NEGF) provides a rigorous framework for quantum transport, we carried out time-dependent density functional theory (TDDFT) calculations of the…

Materials Science · Physics 2011-07-01 ChiYung Yam , Xiao Zheng , GuanHua Chen , Yong Wang , Thomas Frauenheim , Thomas A. Niehaus

We present a comprehensive first-principles study of the ballistic transport properties of low dimensional nanostructures such as linear chains of atoms (Al, C) and carbon nanotubes in presence of defects. A novel approach is introduced…

Mesoscale and Nanoscale Physics · Physics 2009-11-10 Arrigo Calzolari , Nicola Marzari , Ivo Souza , Marco Buongiorno Nardelli

After the discovery of GMR by Fert and Gr\"unberg, electronics had a breakthrough with the birth of a new branch called spintronics. This discipline, while still young, exploits the spin of electrons. Most quantum devices exploiting this…

Mesoscale and Nanoscale Physics · Physics 2015-01-27 Yann Claveau

Ab initio modeling of molecular electronics is nowadays routinely performed by combining the Density Functional Theory (DFT) and Nonequilibrium Green function (NEGF) techniques. This method has its roots in the current formula given by Meir…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 A. P. Jauho

We overview nonequilibrium Green function combined with density functional theory (NEGF-DFT) modeling of independent electron and phonon transport in nanojunctions with applications focused on a new class of thermoelectric devices where a…

Mesoscale and Nanoscale Physics · Physics 2012-04-19 Branislav K. Nikolic , Kamal K. Saha , Troels Markussen , Kristian S. Thygesen

Non-equilibrium Greens function techniques (NEGF) combined with Density Functional Theory (DFT) calculations have become a standard tool for the description of electron transport through single molecule nano-junctions in the coherent…

Materials Science · Physics 2009-11-13 R. Stadler , V. Geskin , J. Cornil

Theories describing electrical transport in semiconductor superlattices can essentially be divided in three disjoint categories: i) transport in a miniband; ii) hopping between Wannier-Stark ladders; and iii) sequential tunneling. We…

Mesoscale and Nanoscale Physics · Physics 2009-10-30 Andreas Wacker , Antti-Pekka Jauho

Electronic transport properties through some model quantum systems are re-visited. A simple tight-binding framework is given to describe the systems where all numerical calculations are made using the Green's function formalism. First, we…

Mesoscale and Nanoscale Physics · Physics 2015-03-19 Santanu K. Maiti

In this thesis we showed that Non-equilibrium Green's Function Perturbation Theory (NEGF) is really the overarching perturbative transport theory. This is shown in great detail by using NEGF as a starting point and developing in 3…

Mesoscale and Nanoscale Physics · Physics 2013-02-05 Meng Lee Leek

With the technical progress of radio-frequency setups, high frequency quantum transport experiments have moved from theory to the lab. So far the standard theoretical approach used to treat such problems numerically--known as Keldysh or…

Mesoscale and Nanoscale Physics · Physics 2014-08-26 Benoit Gaury , Joseph Weston , Christoph Groth , Xavier Waintal

This review is devoted to the different techniques that have been developed to compute the phase-coherent transport properties of quantum nanoelectronic systems connected to electrodes. Beside a review of the different algorithms proposed…

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