Hybrid Mode-Space–Real-Space Approximation for First-Principles Quantum Transport Simulation of Inhomogeneous Devices

2020 ◽  
Vol 13 (4) ◽  
Author(s):  
Fabian Ducry ◽  
Mohammad Hossein Bani-Hashemian ◽  
Mathieu Luisier
Keyword(s):  
Quantum Transport ◽  
First Principles ◽  
Real Space ◽  
Hybrid Mode ◽  
Transport Simulation ◽  
Mode Space

Sub-5-nm Monolayer Silicane Transistor: A First-Principles Quantum Transport Simulation

2020 ◽  
Vol 14 (2) ◽  
Author(s):  
Yuanyuan Pan ◽  
Jingrou Dai ◽  
Lin Xu ◽  
Jie Yang ◽  
Xiuying Zhang ◽  
...  
Keyword(s):  
Quantum Transport ◽  
First Principles ◽  
Transport Simulation

3D real-space quantum transport simulation of nanowire MOS transistors: Influence of the ionized doping impurity

2009 ◽  
Vol 40 (4-5) ◽  
pp. 756-758 ◽  
Author(s):  
M. Bescond ◽  
M. Lannoo ◽  
F. Michelini ◽  
L. Raymond ◽  
M.G. Pala
Keyword(s):  
Quantum Transport ◽  
Real Space ◽  
Mos Transistors ◽  
Transport Simulation ◽  
Doping Impurity

scholarly journals Full-band quantum transport simulation in the presence of hole-phonon interactions using a mode-space k·p approach

2020 ◽  
Vol 32 (2) ◽  
pp. 020001
Author(s):  
Hamilton Carrillo-Nuñez ◽  
Cristina Medina-Bailón ◽  
Vihar P Georgiev ◽  
Asen Asenov
Keyword(s):  
Quantum Transport ◽  
Transport Simulation ◽  
Full Band ◽  
Mode Space

scholarly journals First-principles quantum transport simulation of CuPc on Au(111) and Ag(111)

2019 ◽  
Vol 99 (4) ◽  
Author(s):  
M. Rumetshofer ◽  
D. Bauernfeind ◽  
E. Arrigoni ◽  
W. von der Linden
Keyword(s):  
Quantum Transport ◽  
First Principles ◽  
Transport Simulation

Real-Space X-Ray Pair Distribution Function Analysis and Molecular-Dynamics Modelling of Diflunisal Channel Hydrates

2020 ◽  
Author(s):  
Anuradha Pallipurath ◽  
Francesco Civati ◽  
Jonathan Skelton ◽  
Dean Keeble ◽  
Clare Crowley ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Distribution Function ◽  
Structural Dynamics ◽  
First Principles ◽  
Pair Distribution Function ◽  
Function Analysis ◽  
Real Space ◽  
X Ray ◽  
Dynamics Modelling ◽  
Dynamics Simulations

X-ray pair distribution function analysis is used with first-principles molecular dynamics simulations to study the co-operative H<sub>2</sub>O binding, structural dynamics and host-guest interactions in the channel hydrate of diflunisal.

scholarly journals First-Principles Quantum Transport Modeling of Spin-Transfer and Spin-Orbit Torques in Magnetic Multilayers

2018 ◽  
pp. 1-35 ◽  
Author(s):  
Branislav K. Nikolić ◽  
Kapildeb Dolui ◽  
Marko D. Petrović ◽  
Petr Plecháč ◽  
Troels Markussen ◽  
...  
Keyword(s):  
Quantum Transport ◽  
First Principles ◽  
Magnetic Multilayers ◽  
Spin Transfer ◽  
Transport Modeling ◽  
Spin Orbit
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