Electronic transport properties ofPd‐Hjunctions between twoPdHx(x=0,0.25,0.5,0.75,1)electrodes: A nonequilibrium Green’s function study

2005 ◽  
Vol 72 (11) ◽  
Author(s):  
Xiaojun Wu ◽  
Qunxiang Li ◽  
Jinlong Yang
Keyword(s):  
Green’S Function ◽  
Transport Properties ◽  
Green's Function ◽  
Electronic Transport ◽  
Electronic Transport Properties ◽  
Function Study ◽  
Nonequilibrium Green's Function ◽  
Nonequilibrium Green’S Function

Controlling the electronic transport properties of the tetrapyrimidinyl molecule with atom modified sulfur bridge

RSC Advances ◽  
2015 ◽  
Vol 5 (14) ◽  
pp. 10675-10679 ◽  
Author(s):  
Jie Ma ◽  
Chuan-Lu Yang ◽  
Mei-Shan Wang ◽  
Xiao-Guang Ma
Keyword(s):  
Density Functional Theory ◽  
Green’S Function ◽  
Transport Properties ◽  
Green's Function ◽  
Electronic Transport ◽  
Density Functional ◽  
Functional Theory ◽  
Electronic Transport Properties ◽  
Nonequilibrium Green's Function ◽  
Probe System

The effect of the modified sulfur bridge on the I–V characteristics of a two-probe system of tetrapyrimidinyl molecules and Au electrodes is explored based on density functional theory with nonequilibrium Green's function.

Multifunctional heterostructures constructed using MoS2 and WS2 nanoribbons

2016 ◽  
Vol 18 (39) ◽  
pp. 27468-27475 ◽  
Author(s):  
Yi Zhou ◽  
Jichen Dong ◽  
Hui Li
Keyword(s):  
Density Functional Theory ◽  
Transport Properties ◽  
Green's Function ◽  
Electronic Transport ◽  
First Principles ◽  
Density Functional ◽  
First Principles Calculations ◽  
Functional Theory ◽  
Electronic Transport Properties ◽  
Nonequilibrium Green's Function

Using first-principles calculations based on nonequilibrium Green's function together with density functional theory, we investigated the electronic transport properties of some devices consisting of armchair and zigzag MoS2NRs/WS2NRs in-plane heterostructures.

Transport properties of atomic-size aluminum chains: first principles and nonequilibrium Green's function studies

RSC Advances ◽  
2015 ◽  
Vol 5 (111) ◽  
pp. 91288-91294 ◽  
Author(s):  
F. Sanchez-Ochoa ◽  
Gregorio H. Cocoletzi ◽  
G. Canto ◽  
Noboru Takeuchi
Keyword(s):  
Green’S Function ◽  
Transport Properties ◽  
Green's Function ◽  
Atomic Structure ◽  
First Principles ◽  
Atomic Scale ◽  
First Principles Calculations ◽  
Atomic Size ◽  
Nonequilibrium Green's Function ◽  
Nonequilibrium Green’S Function

First principles calculations are performed to investigate atomic structure and nonequilibrium Green's function for Al atomic scale chains transport properties.

NONEQUILIBRIUM GREEN'S FUNCTION BASED QUANTUM TRANSPORT SIMULATION FOR STRAINED-ENGINEERED NANOSCALE TRANSISTORS IN THE PRESENCE OF ELECTRON–PHONON INTERACTIONS

2010 ◽  
Vol 09 (04) ◽  
pp. 327-333
Author(s):  
T. K. MAITI ◽  
C. K. MAITI
Keyword(s):  
Ab Initio ◽  
Green’S Function ◽  
Quantum Transport ◽  
Green's Function ◽  
Electronic Transport ◽  
Phonon Scattering ◽  
Local Density ◽  
Nonequilibrium Green's Function ◽  
Nonequilibrium Green’S Function ◽  
Nanoscale Transistors

Based on ab initio formulation and using nonequilibrium Green's function (NEGF) formalism, electronic transport in the presence of electron–phonon interactions in strained-engineered nanoscale transistors is presented. Ab initio methods are applied to treat the metal/semiconductor interface properly. NEGF formalism is applied as quantum transport and phonon scattering are the dominant factors in devices under realistic operating voltages. Local self-energy functions for electron–phonon scattering have been obtained using deformation potential theory. This approach is applied to the study of electronic transport in strain-engineered nanowire transistors. Electron–phonon interactions on broadening of local density of states are also reported.

Sign in / Sign up

Export Citation Format

Share Document