scholarly journals First-principles quantum transport with electron-vibration interactions: A maximally localized Wannier functions approach

2013 ◽  
Vol 87 (24) ◽  
Author(s):  
Sejoong Kim ◽  
Nicola Marzari
Keyword(s):  
Quantum Transport ◽  
First Principles ◽  
Wannier Functions

scholarly journals Ab initio quantum transport in AB-stacked bilayer penta-silicene using atomic orbitals

RSC Advances ◽  
2018 ◽  
Vol 8 (59) ◽  
pp. 34041-34046 ◽  
Author(s):  
Eleni Chatzikyriakou ◽  
Padeleimon Karafiloglou ◽  
Joseph Kioseoglou
Keyword(s):  
Density Functional Theory ◽  
Quantum Transport ◽  
Current Density ◽  
First Principles ◽  
Density Functional ◽  
Free Standing ◽  
Functional Theory ◽  
Wannier Functions ◽  
Atomic Orbitals ◽  
Scattering Matrices

A methodology for parameter-free calculations of current density from first-principles using density functional theory, Wannier functions and scattering matrices is presented. The methodology is used on free-standing AB-stacked bilayer penta-silicene.

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

Influence of the interface structure and strain on the rectification performance of lateral MoS2/graphene heterostructure devices

2022 ◽  
Author(s):  
Shun Song ◽  
Jian Gong ◽  
Xiangwei Jiang ◽  
Shenyuan Yang
Keyword(s):  
Transport Properties ◽  
Quantum Transport ◽  
First Principles ◽  
Interface Structure ◽  
First Principles Calculations ◽  
Heterostructure Devices

We systematically study the influence of interface configuration and strain on the electronic and transport properties of lateral MoS2/graphene heterostructures by first-principles calculations and quantum transport simulations.

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

scholarly journals First-principles Wannier functions of silicon and gallium arsenide

1997 ◽  
Vol 55 (4) ◽  
pp. R1909-R1913 ◽  
Author(s):  
Pablo Fernández ◽  
Andrea Dal Corso ◽  
Alfonso Baldereschi ◽  
Francesco Mauri
Keyword(s):  
Gallium Arsenide ◽  
First Principles ◽  
Wannier Functions

scholarly journals Nonequilibrium spin injection in monolayer black phosphorus

2016 ◽  
Vol 18 (3) ◽  
pp. 1601-1606 ◽  
Author(s):  
Mingyan Chen ◽  
Zhizhou Yu ◽  
Yin Wang ◽  
Yiqun Xie ◽  
Jian Wang ◽  
...  
Keyword(s):  
Quantum Transport ◽  
First Principles ◽  
Spin Injection ◽  
Black Phosphorus ◽  
Spin Polarized ◽  
First Principles Method

Nonequilibrium spin injection and spin-polarized quantum transport in monolayer black phosphorus are studied using the first principles method.

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