First-principles based matrix Green's function approach to molecular electronic devices: general formalism

Chemical Physics ◽

10.1016/s0301-0104(02)00446-9 ◽

2002 ◽

Vol 281 (2-3) ◽

pp. 151-170 ◽

Author(s):

Yongqiang Xue ◽

Supriyo Datta ◽

Mark A. Ratner

Keyword(s):

Green’S Function ◽

Green's Function ◽

First Principles ◽

Electronic Devices ◽

Function Approach ◽

Molecular Electronic ◽

Molecular Electronic Devices

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Chapter 7 Nonequilibrium Green's function modeling of the quantum transport of molecular electronic devices

Theoretical and Computational Chemistry - Molecular and Nano Electronics:Analysis, Design and Simulation ◽

10.1016/s1380-7323(07)80025-2 ◽

2007 ◽

pp. 187-204 ◽

Author(s):

Pawel Pomorski ◽

Khorgolkhuu Odbadrakh ◽

Celeste Sagui ◽

Christopher Roland

Keyword(s):

Green’S Function ◽

Quantum Transport ◽

Green's Function ◽

Electronic Devices ◽

Molecular Electronic ◽

Nonequilibrium Green's Function ◽

Nonequilibrium Green’S Function ◽

Molecular Electronic Devices

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Electronic band structure from first-principles Green’s function approach: theory and implementations

Frontiers of Chemistry in China ◽

10.1007/s11458-011-0261-6 ◽

2011 ◽

Vol 6 (4) ◽

pp. 253-268

Author(s):

Hong Jiang

Keyword(s):

Band Structure ◽

Green’S Function ◽

Green's Function ◽

First Principles ◽

Electronic Band Structure ◽

Function Approach ◽

Electronic Band ◽

Approach Theory

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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 ◽

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

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First-principles calculation of the Dzyaloshinskii-Moriya interaction: A Green's function approach

Physical Review B ◽

10.1103/physrevb.103.094410 ◽

2021 ◽

Vol 103 (9) ◽

Author(s):

Farzad Mahfouzi ◽

Nicholas Kioussis

Keyword(s):

Green’S Function ◽

Green's Function ◽

First Principles ◽

Function Approach ◽

First Principles Calculation ◽

Moriya Interaction

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First-Principles Study of the Switching Mechanism of [2]Catenane Molecular Electronic Devices

Physical Review Letters ◽

10.1103/physrevlett.94.156801 ◽

2005 ◽

Vol 94 (15) ◽

Author(s):

Yong-Hoon Kim ◽

Seung Soon Jang ◽

Yun Hee Jang ◽

William A. Goddard

Keyword(s):

First Principles ◽

Electronic Devices ◽

Molecular Electronic ◽

Switching Mechanism ◽

First Principles Study ◽

Molecular Electronic Devices

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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) ◽

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

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First-Principles Simulations of Inelastic Electron Tunneling Spectroscopy of Molecular Electronic Devices

Nano Letters ◽

10.1021/nl050789h ◽

2005 ◽

Vol 5 (8) ◽

pp. 1551-1555 ◽

Author(s):

Jun Jiang ◽

Mathias Kula ◽

Wei Lu ◽

Yi Luo

Keyword(s):

First Principles ◽

Electron Tunneling ◽

Electronic Devices ◽

Tunneling Spectroscopy ◽

Inelastic Electron ◽

Molecular Electronic ◽

Inelastic Electron Tunneling Spectroscopy ◽

Inelastic Electron Tunneling ◽

Electron Tunneling Spectroscopy ◽

Molecular Electronic Devices

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An iterative application of the Green's function approach to estimate the time variation in 137Cs release to the atmosphere from the Fukushima Daiichi Nuclear Power Station

Atmospheric Environment ◽

10.1016/j.atmosenv.2021.118380 ◽

2021 ◽

Vol 254 ◽

pp. 118380

Author(s):

Tamon Niisoe

Keyword(s):

Green’S Function ◽

Nuclear Power Station ◽

Green's Function ◽

Time Variation ◽

Nuclear Power ◽

Function Approach ◽

Power Station ◽

Fukushima Daiichi

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Fabrication and Characterization of Molecular Electronic Devices

Journal of Nanoscience and Nanotechnology ◽

10.1166/jnn.2015.9775 ◽

2015 ◽

Vol 15 (2) ◽

pp. 921-938 ◽

Author(s):

Youngsang Kim ◽

Hyunwook Song

Keyword(s):

Electronic Devices ◽

Molecular Electronic ◽

Fabrication And Characterization ◽

Molecular Electronic Devices

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The role of solitons on the properties of electron transport through the CNT/t-PA/CNT system—a Green’s function approach

Journal of Physics Condensed Matter ◽

10.1088/0953-8984/19/11/116211 ◽

2007 ◽

Vol 19 (11) ◽

pp. 116211 ◽

Author(s):

H Milani Moghaddam ◽

S A Ketabi ◽

N Shahtahmasebi

Keyword(s):

Electron Transport ◽

Green’S Function ◽

Green's Function ◽

Function Approach ◽

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