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

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...

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

RSC Advances ◽

10.1039/c4ra14163f ◽

2015 ◽

Vol 5 (14) ◽

pp. 10675-10679 ◽

Cited By ~ 5

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.

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General atomistic approach for modeling metal-semiconductor interfaces using density functional theory and nonequilibrium Green's function

Physical Review B ◽

10.1103/physrevb.93.155302 ◽

2016 ◽

Vol 93 (15) ◽

Cited By ~ 65

Author(s):

Daniele Stradi ◽

Umberto Martinez ◽

Anders Blom ◽

Mads Brandbyge ◽

Kurt Stokbro

Keyword(s):

Density Functional Theory ◽

Green’S Function ◽

Green's Function ◽

Density Functional ◽

Functional Theory ◽

Nonequilibrium Green's Function ◽

Semiconductor Interfaces ◽

Nonequilibrium Green’S Function

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Geometry dependent current-voltage characteristics of ZnO nanostructures: A combined nonequilibrium Green’s function and density functional theory study

Applied Physics Letters ◽

10.1063/1.3259657 ◽

2009 ◽

Vol 95 (19) ◽

pp. 192101 ◽

Cited By ~ 12

Author(s):

Zhiwen Yang ◽

Bin Wen ◽

Roderick Melnik ◽

Shan Yao ◽

Tingju Li

Keyword(s):

Density Functional Theory ◽

Green’S Function ◽

Green's Function ◽

Density Functional ◽

Zno Nanostructures ◽

Density Functional Theory Study ◽

Functional Theory ◽

Nonequilibrium Green's Function ◽

Current Voltage ◽

Current Voltage Characteristics

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

Physical Review B ◽

10.1103/physrevb.79.155117 ◽

2009 ◽

Vol 79 (15) ◽

Cited By ~ 22

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

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First Principles Approach to CdTe/Te Interface Band Alignment Using Density Functional Theory and Nonequilibrium Green’s Function

2018 IEEE 7th World Conference on Photovoltaic Energy Conversion (WCPEC) (A Joint Conference of 45th IEEE PVSC, 28th PVSEC & 34th EU PVSEC) ◽

10.1109/pvsc.2018.8547599 ◽

2018 ◽

Cited By ~ 2

Author(s):

Anthony P. Nicholson ◽

Amit H. Munshi ◽

Umberto Pozzoni ◽

Walajabad S. Sampath

Keyword(s):

Density Functional Theory ◽

Green’S Function ◽

Green's Function ◽

First Principles ◽

Density Functional ◽

Band Alignment ◽

Functional Theory ◽

Nonequilibrium Green's Function ◽

Nonequilibrium Green’S Function

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Electron transport across a metal-organic interface: Simulations using nonequilibrium Green's function and density functional theory

Physical Review B ◽

10.1103/physrevb.88.075317 ◽

2013 ◽

Vol 88 (7) ◽

Cited By ~ 8

Author(s):

Kurt Stokbro ◽

Søren Smidstrup

Keyword(s):

Density Functional Theory ◽

Electron Transport ◽

Green’S Function ◽

Green's Function ◽

Density Functional ◽

Functional Theory ◽

Nonequilibrium Green's Function ◽

Metal Organic ◽

Nonequilibrium Green’S Function

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Current profiles of molecular nanowires: Density-functional theory Green’s function representation

Physical Review B ◽

10.1103/physrevb.69.155430 ◽

2004 ◽

Vol 69 (15) ◽

Cited By ~ 8

Author(s):

Oleg Berman ◽

Shaul Mukamel

Keyword(s):

Density Functional Theory ◽

Green’S Function ◽

Green's Function ◽

Density Functional ◽

Functional Theory ◽

Function Representation

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Green's function method in covariant density functional theory

SCIENTIA SINICA Physica, Mechanica & Astronomica ◽

10.1360/sspma2015-00371 ◽

2015 ◽

Vol 46 (1) ◽

pp. 012006 ◽

Cited By ~ 7

Author(s):

TingTing SUN

Keyword(s):

Density Functional Theory ◽

Green’S Function ◽

Green's Function ◽

Density Functional ◽

Function Method ◽

Green’S Function Method ◽

Functional Theory ◽

Covariant Density Functional Theory ◽

Covariant Density

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Multifunctional heterostructures constructed using MoS2 and WS2 nanoribbons

Physical Chemistry Chemical Physics ◽

10.1039/c6cp05174j ◽

2016 ◽

Vol 18 (39) ◽

pp. 27468-27475 ◽

Cited By ~ 7

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.

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