Oscillation of dynamic conductance ofAl-Cn-Alstructures: Nonequilibrium Green’s function and density functional theory study

2009 ◽  
Vol 79 (15) ◽  
Author(s):  
Bin Wang ◽  
Yunjin Yu ◽  
Lei Zhang ◽  
Yadong Wei ◽  
Jian Wang
Keyword(s):  
Density Functional Theory ◽  
Green’S Function ◽  
Green's Function ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Nonequilibrium Green's Function ◽  
Nonequilibrium Green’S Function ◽  
Dynamic Conductance

High tunneling magnetoresistance induced by symmetry and quantum interference in magnetic molecular junctions

2021 ◽  
Author(s):  
Lin Huang ◽  
Yu-Jia Zeng ◽  
Dan Wu ◽  
Nan-Nan Luo ◽  
Ye-Xin Feng ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Green’S Function ◽  
Green's Function ◽  
Quantum Interference ◽  
Density Functional ◽  
Molecular Junctions ◽  
Tunneling Magnetoresistance ◽  
Functional Theory ◽  
Nonequilibrium Green's Function ◽  
Molecular Scale

Achieving high tunneling magnetoresistance (TMR) in molecular-scale junctions is attractive for their applications in spintronics. By using density-functional theory (DFT) in combination with the nonequilibrium Green's function (NEGF) method, we...

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.

A combined Green’s function/density-functional theory study of electrical conducting properties of solvated single molecules tethered to Au electrodes

2012 ◽  
Vol 521 ◽  
pp. 39-44 ◽  
Author(s):  
Yasuhiro Hoshiba ◽  
Yaku Maeda ◽  
Katsuhiro Hamada ◽  
Shouichi Fukuoka ◽  
Yasuyuki Ishikawa ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Green’S Function ◽  
Green's Function ◽  
Density Functional ◽  
Single Molecules ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Electrical Conducting ◽  
Function Density
Sign in / Sign up

Export Citation Format

Share Document