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

F. Sanchez-Ochoa; Gregorio H. Cocoletzi; G. Canto; Noboru Takeuchi

doi:10.1039/c5ra13567b

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

RSC Advances ◽

10.1039/c5ra13567b ◽

2015 ◽

Vol 5 (111) ◽

pp. 91288-91294 ◽

Cited By ~ 3

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.

Download Full-text

Anisotropic thermoelectric effect on phosphorene and bismuthene: first-principles calculations based on nonequilibrium Green’s function theory

Japanese Journal of Applied Physics ◽

10.7567/jjap.57.125201 ◽

2018 ◽

Vol 57 (12) ◽

pp. 125201 ◽

Cited By ~ 2

Author(s):

Yuto Tanaka ◽

Mineo Saito ◽

Fumiyuki Ishii

Keyword(s):

Green’S Function ◽

Green's Function ◽

First Principles ◽

Function Theory ◽

Thermoelectric Effect ◽

First Principles Calculations ◽

Nonequilibrium Green's Function ◽

Nonequilibrium Green’S Function

Download Full-text

Nonequilibrium Green’s Function and First-Principles Approach to Modeling of Multiferroic Tunnel Junctions

Physical Review Applied ◽

10.1103/physrevapplied.12.014003 ◽

2019 ◽

Vol 12 (1) ◽

Author(s):

Robert Andrawis ◽

Kaushik Roy

Keyword(s):

Green’S Function ◽

Green's Function ◽

First Principles ◽

Tunnel Junctions ◽

Nonequilibrium Green's Function ◽

Nonequilibrium Green’S Function

Download Full-text

First-Principles Nonequilibrium Green’s Function Approach to Ultrafast Charge Migration in Glycine

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.9b00170 ◽

2019 ◽

Vol 15 (8) ◽

pp. 4526-4534 ◽

Cited By ~ 2

Author(s):

E. Perfetto ◽

D. Sangalli ◽

M. Palummo ◽

A. Marini ◽

G. Stefanucci

Keyword(s):

Green’S Function ◽

Green's Function ◽

First Principles ◽

Function Approach ◽

Charge Migration ◽

Nonequilibrium Green's Function ◽

Nonequilibrium Green’S Function

Download Full-text

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.

Download Full-text

Relation between nonequilibrium Green’s function and Lippmann-Schwinger formalism in the first-principles quantum transport theory

Physical Review B ◽

10.1103/physrevb.79.045119 ◽

2009 ◽

Vol 79 (4) ◽

Cited By ~ 31

Author(s):

Jian Wang ◽

Hong Guo

Keyword(s):

Green’S Function ◽

Quantum Transport ◽

Green's Function ◽

First Principles ◽

Transport Theory ◽

Nonequilibrium Green's Function ◽

Quantum Transport Theory ◽

Nonequilibrium Green’S Function

Download Full-text

First-principles transport calculation method based on real-space finite-difference nonequilibrium Green's function scheme

Physical Review B ◽

10.1103/physrevb.86.195406 ◽

2012 ◽

Vol 86 (19) ◽

Cited By ~ 16

Author(s):

Tomoya Ono ◽

Yoshiyuki Egami ◽

Kikuji Hirose

Keyword(s):

Finite Difference ◽

Green’S Function ◽

Green's Function ◽

First Principles ◽

Calculation Method ◽

Real Space ◽

Nonequilibrium Green's Function ◽

Transport Calculation ◽

Nonequilibrium Green’S Function

Download Full-text

First-principles nonequilibrium Green's-function approach to transient photoabsorption: Application to atoms

Physical Review A ◽

10.1103/physreva.92.033419 ◽

2015 ◽

Vol 92 (3) ◽

Cited By ~ 36

Author(s):

E. Perfetto ◽

A.-M. Uimonen ◽

R. van Leeuwen ◽

G. Stefanucci

Keyword(s):

Green’S Function ◽

Green's Function ◽

First Principles ◽

Function Approach ◽

Nonequilibrium Green's Function ◽

Nonequilibrium Green’S Function

Download Full-text

Semiconductor band alignment from first principles: A new nonequilibrium Green's function method applied to the CZTSe/CdS interface for photovoltaics

2016 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD) ◽

10.1109/sispad.2016.7605225 ◽

2016 ◽

Cited By ~ 2

Author(s):

Mattias L. N. Palsgaard ◽

Andrea Crovetto ◽

Tue Gunst ◽

Troels Markussen ◽

Ole Hansen ◽

...

Keyword(s):

Green’S Function ◽

Green's Function ◽

First Principles ◽

Function Method ◽

Band Alignment ◽

Green’S Function Method ◽

Nonequilibrium Green's Function ◽

Nonequilibrium Green’S Function ◽

Nonequilibrium Green's Function Method ◽

Nonequilibrium Green’S Function Method

Download Full-text

Electronic transportation through asymmetrically substituted oligo(phenylene ethynylene)s: Studied by first principles nonequilibrium Green’s function formalism

The Journal of Chemical Physics ◽

10.1063/1.2345061 ◽

2006 ◽

Vol 125 (9) ◽

pp. 094711 ◽

Cited By ~ 59

Author(s):

Xing Yin ◽

Hongmei Liu ◽

Jianwei Zhao

Keyword(s):

Green’S Function ◽

Green's Function ◽

First Principles ◽

Phenylene Ethynylene ◽

Nonequilibrium Green's Function ◽

Function Formalism ◽

Nonequilibrium Green’S Function Formalism ◽

Nonequilibrium Green’S Function ◽

Green's Function Formalism

Download Full-text

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

Physical Review B ◽

10.1103/physrevb.72.115438 ◽

2005 ◽

Vol 72 (11) ◽

Cited By ~ 10

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

Download Full-text