Design of multifunctional spin logic gates based on manganese porphyrin molecules connected to graphene electrodes

2021 ◽  
Author(s):  
Wenfei Zhang ◽  
Guang-Ping Zhang ◽  
Zong-Liang Li ◽  
Xiaoxiao Fu ◽  
Chuankui Wang ◽  
...  
Keyword(s):  
Transport Properties ◽  
Green's Function ◽  
Logic Gates ◽  
Atomic Chain ◽  
Manganese Porphyrin ◽  
Logic Devices ◽  
Molecular Logic ◽  
Spin Logic ◽  
Non Equilibrium Green’S Function ◽  
Non Equilibrium

The spin-resolved transport properties of molecular logic devices composed of two Mn porphyrin molecules connected to each other via a six-carbon atomic chain were studied using the non-equilibrium Green’s function...

Bias-dependent transport properties of passivated tilted black phosphorene nanoribbons

2018 ◽  
Vol 20 (16) ◽  
pp. 11021-11027 ◽  
Author(s):  
Fazle Subhan ◽  
M. Umar Farooq ◽  
Jisang Hong
Keyword(s):  
Green’S Function ◽  
Transport Properties ◽  
Green's Function ◽  
Black Phosphorene ◽  
Dependent Transport ◽  
Non Equilibrium Green’S Function ◽  
Non Equilibrium

To explore the transport properties of the passivated TPNRs, using the non-equilibrium Green's function (NEGF) technique under the DFT code.

Two-dimensional germanane and germanane ribbons: density functional calculation of structural, electronic, optical and transport properties and the role of defects

RSC Advances ◽  
2016 ◽  
Vol 6 (34) ◽  
pp. 28298-28307 ◽  
Author(s):  
Jun Zhao ◽  
Hui Zeng
Keyword(s):  
Transport Properties ◽  
Green's Function ◽  
First Principles ◽  
Density Functional ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
Density Functional Calculation ◽  
Non Equilibrium Green’S Function ◽  
Non Equilibrium

We have performed first principles calculations combined with non-equilibrium Green’s function to study the structural, electronic, optical and transport properties of two-dimensional germanane and germanane ribbons.

Electronic and transport properties of PSi@MoS2 nanocables

2016 ◽  
Vol 18 (6) ◽  
pp. 4333-4344
Author(s):  
Cuicui Sun ◽  
Guiling Zhang ◽  
Yan Shang ◽  
Zhao-Di Yang ◽  
Xiaojun Sun
Keyword(s):  
Density Functional Theory ◽  
Green’S Function ◽  
Transport Properties ◽  
Green's Function ◽  
Electronic Structures ◽  
Density Functional ◽  
Functional Theory ◽  
The Density Functional Theory ◽  
Non Equilibrium Green’S Function ◽  
Non Equilibrium

Electronic structures and transport properties of prototype MoS2 nanotube (15, 0) nanocables, including undoped PSi@MoS2 and B- and P-doped PSi@MoS2 (where PSi refers to polysilane), are investigated using the density functional theory (DFT) and the non-equilibrium Green's function (NEGF) methods.

scholarly journals Electronic and transport properties of zigzag phosphorene nanoribbons with nonmetallic atom terminations

RSC Advances ◽  
2020 ◽  
Vol 10 (3) ◽  
pp. 1400-1409 ◽  
Author(s):  
L. Sun ◽  
Z. H. Zhang ◽  
H. Wang ◽  
M. Li
Keyword(s):  
Density Functional Theory ◽  
Transport Properties ◽  
Electronic Properties ◽  
Green's Function ◽  
First Principles ◽  
Density Functional ◽  
Functional Theory ◽  
Non Equilibrium Green’S Function ◽  
Non Equilibrium ◽  
First Principles Method

Using the first-principles method based on density-functional theory and non-equilibrium Green's function, the electronic properties of zigzag ZPNRs terminated with NM atoms, as well as a pristine case, were studied systematically.

Spin-resolved transport properties in zigzag α-graphyne nanoribbons with symmetric and asymmetric edge fluorinations

RSC Advances ◽  
2016 ◽  
Vol 6 (18) ◽  
pp. 15008-15015 ◽  
Author(s):  
Dan Zhang ◽  
Mengqiu Long ◽  
Xiaojiao Zhang ◽  
Jun Ouyang ◽  
Hui Xu ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Transport Properties ◽  
Green's Function ◽  
Density Functional ◽  
Function Method ◽  
Functional Theory ◽  
Spin Polarized ◽  
The Stability ◽  
Non Equilibrium Green’S Function ◽  
Non Equilibrium

Using the non-equilibrium Green's function method and spin-polarized density functional theory, we investigate the stability and spin-resolved transport properties of zigzag α-graphyne nanoribbons with symmetric and asymmetric edge fluorinations.

scholarly journals Multiband treatment of quantum transport in anisotropic semiconductors: Non-equilibrium Green’s function

2013 ◽  
Vol 58 (1-2) ◽  
pp. 282-287 ◽  
Author(s):  
Chun-Nan Chen ◽  
Sheng-Hsiung Chang ◽  
Wei-Long Su ◽  
Jen-Yi Jen ◽  
Yiming Li
Keyword(s):  
Green’S Function ◽  
Quantum Transport ◽  
Green's Function ◽  
Non Equilibrium Green’S Function ◽  
Non Equilibrium
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