Hubbard operators approach to the transport in molecular junctions

2005 ◽  
Vol 71 (23) ◽  
Author(s):  
Tomasz Kostyrko ◽  
Bogdan R. Bułka
Keyword(s):  
Molecular Junctions ◽  
Hubbard Operators

scholarly journals Conductance Switching of Azobenzene-Based Self-Assembled Monolayers on Cobalt Probed by UHV Conductive-AFM.

Nanoscale ◽  
2021 ◽  
Author(s):  
Louis Thomas ◽  
Imane Arbouch ◽  
David Guérin ◽  
Xavier Wallart ◽  
Colin van Dyck ◽  
...  
Keyword(s):  
Electrical Properties ◽  
Covalent Bond ◽  
Molecular Junctions ◽  
Self Assembled Monolayers ◽  
Conductive Afm ◽  
Conductance Switching ◽  
Assembled Monolayers ◽  
Self Assembled

We report the formation of self-assembled monolayers of a molecular photoswitch (azobenzene-bithiophene derivative, AzBT) on cobalt via a thiol covalent bond. We study the electrical properties of the molecular junctions...

scholarly journals Strain Investigation on Spin-Dependent Transport Properties of γ-Graphyne Nanoribbon Between Gold Electrodes

2021 ◽  
Vol 16 (1) ◽  
Author(s):  
Yun Li ◽  
Xiaobo Li ◽  
Shidong Zhang ◽  
Liemao Cao ◽  
Fangping Ouyang ◽  
...  
Keyword(s):  
Transport Properties ◽  
High Performance ◽  
Density Functional ◽  
Strain Engineering ◽  
Molecular Junctions ◽  
Spin Splitting ◽  
Functional Theory ◽  
Spin Dependent Transport ◽  
The Density Functional Theory ◽  
Dependent Transport

AbstractStrain engineering has become one of the effective methods to tune the electronic structures of materials, which can be introduced into the molecular junction to induce some unique physical effects. The various γ-graphyne nanoribbons (γ-GYNRs) embedded between gold (Au) electrodes with strain controlling have been designed, involving the calculation of the spin-dependent transport properties by employing the density functional theory. Our calculated results exhibit that the presence of strain has a great effect on transport properties of molecular junctions, which can obviously enhance the coupling between the γ-GYNR and Au electrodes. We find that the current flowing through the strained nanojunction is larger than that of the unstrained one. What is more, the length and strained shape of the γ-GYNR serves as the important factors which affect the transport properties of molecular junctions. Simultaneously, the phenomenon of spin-splitting occurs after introducing strain into nanojunction, implying that strain engineering may be a new means to regulate the electron spin. Our work can provide theoretical basis for designing of high performance graphyne-based devices in the future.

High tunneling magnetoresistance induced by symmetry and quantum interference in magnetic molecular junctions

2021 ◽  
Author(s):  
Lin Huang ◽  
Yu-Jia Zeng ◽  
Dan Wu ◽  
Nan-Nan Luo ◽  
Ye-Xin Feng ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Green’S Function ◽  
Green's Function ◽  
Quantum Interference ◽  
Density Functional ◽  
Molecular Junctions ◽  
Tunneling Magnetoresistance ◽  
Functional Theory ◽  
Nonequilibrium Green's Function ◽  
Molecular Scale

Achieving high tunneling magnetoresistance (TMR) in molecular-scale junctions is attractive for their applications in spintronics. By using density-functional theory (DFT) in combination with the nonequilibrium Green's function (NEGF) method, we...

scholarly journals Heteroatom Effects on Quantum Interference in Molecular Junctions: Modulating Antiresonances by Molecular Design

2021 ◽  
Author(s):  
Luke J. O’Driscoll ◽  
Sara Sangtarash ◽  
Wei Xu ◽  
Abdalghani Daaoub ◽  
Wenjing Hong ◽  
...  
Keyword(s):  
Quantum Interference ◽  
Molecular Design ◽  
Molecular Junctions

scholarly journals Optimised power harvesting by controlling the pressure applied to molecular junctions

2021 ◽  
Vol 12 (14) ◽  
pp. 5230-5235
Author(s):  
Xintai Wang ◽  
Ali Ismael ◽  
Ahmad Almutlg ◽  
Majed Alshammari ◽  
Alaa Al-Jobory ◽  
...  
Keyword(s):  
Molecular Junctions ◽  
Thermoelectric Devices ◽  
Power Harvesting ◽  
Self Assembled ◽  
Molecular Layers

A major potential advantage of creating thermoelectric devices using self-assembled molecular layers is their mechanical flexibility.

In-situ photoconductivity measurement of imidazole in optical fiber break-junctions

2021 ◽  
Author(s):  
Zhikai Zhao ◽  
Chenyang Guo ◽  
Lifa Ni ◽  
Xueyan Zhao ◽  
Surong Zhang ◽  
...  
Keyword(s):  
Electron Transport ◽  
Optical Fiber ◽  
Transport Properties ◽  
Molecular Junctions ◽  
Break Junction ◽  
Break Junctions ◽  
Fiber Break ◽  
Electron Transport Properties ◽  
Photoconductivity Measurement

We develop a method based on the mechanically controllable break junction technique to investigate the electron transport properties of single molecular junctions upon fiber waveguided light. In our strategy, a...

Quantum bath effects on nonequilibrium heat transport in model molecular junctions

2021 ◽  
Vol 154 (9) ◽  
pp. 094108
Author(s):  
Pablo Carpio-Martínez ◽  
Gabriel Hanna
Keyword(s):  
Heat Transport ◽  
Molecular Junctions

In-situ control of on-chip angstrom gaps, atomic switches, and molecular junctions by light irradiation

Nano Today ◽  
2021 ◽  
Vol 39 ◽  
pp. 101226
Author(s):  
Surong Zhang ◽  
Chenyang Guo ◽  
Lifa Ni ◽  
Kerstin M. Hans ◽  
Weiqiang Zhang ◽  
...  
Keyword(s):  
Molecular Junctions ◽  
Light Irradiation ◽  
In Situ Control ◽  
On Chip
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