Effect of contact interface configuration on electronic transport in (C20)2-based molecular junctions

Ji, Guomin; Li, Dongmei; Fang, Changshui; Xu, Yuqing; Zhai, Yaxin; Cui, Bin; Liu, Desheng

doi:10.1016/j.physleta.2011.12.025

Cited by 6 publications

(1 citation statement)

References 34 publications

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“…The structure of C 20 fullerene in connection with the Au electrodes has been considered in various articles in recent years 14,22,[41][42][43][44][45][46][47][48][49][50] . After the optimization of the considered structures, the obtained results in our calculations were very close to results calculated by other groups including 14,22,41,42 . In fact, the molecules are attached to the Au (100) electrodes with a separation of 2.185 Å 22,23 .…”

Section: Calculation Methods and Simulation Modelmentioning

confidence: 99%

The impact of Fe atom on the spin-filter and spin thermoelectric properties of Au-Fe@C20-Au monomer and dimer systems

Khalatbari

Vishkayi

Soleimani

2020

Sci Rep

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Based on density functional theory and non-equilibrium Green’s function formalism, we explore the effect of Fe atom in Au-Fe@C20-Au monomer and dimer systems in comparison with the C20 fullerene molecular junctions. We calculate the spin-dependent transmission coefficient, spin polarization and also their spin thermoelectric coefficients to investigate magnetic properties in the system. Our results indicate that the presence of Fe atoms enhances substantially the spin-filter and increases the spin figure of merit in the dimer system. We suggest that the Au-(Fe@C20)2-Au system is a suitable junction for designing spin-filtering and spin thermoelectric devices and eventually it is a good candidate for spintronic applications.

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Section: Calculation Methods and Simulation Modelmentioning

confidence: 99%

The impact of Fe atom on the spin-filter and spin thermoelectric properties of Au-Fe@C20-Au monomer and dimer systems

Khalatbari

Vishkayi

Soleimani

2020

Sci Rep

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Reconnoitring the current characteristics of the double C20 fullerene molecular device in two probe configuration

Kaur

2017

J Mol Model

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It is worth remarking that the C cage like isomer has been the topic of concentrated theoretical research. C single fullerene molecular devices gained a lot of popularity in the field of nano research due to their superlative doping dependent conductive properties. In this work, the double fullerene device has been considered. Here double fullerene molecular junction is created when two C fullerene molecules, one in pristine form and other in doped form, are positioned between gold electrodes. Doping was done firstly by second period elements, boron, nitrogen, oxygen, and fluorine and then by group 14 tetragens, silicon, germanium, tin, and lead. For both the cases current characteristics were investigated. Superior conductivity was observed in the boron doped double C molecular device while the fluorine doped device was the least conducting. Further for group 14 doping, the silicon doped double C device showed maximum current carrying feature, whereas, least value of current was noted in tin doped C device.

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Magnetic field control of current through model graphene nanosheets

Dhakal

Rai

2019

Physics Letters A

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Effect of contact interface configuration on electronic transport in (C20)2-based molecular junctions

Cited by 6 publications

References 34 publications

The impact of Fe atom on the spin-filter and spin thermoelectric properties of Au-Fe@C20-Au monomer and dimer systems

The impact of Fe atom on the spin-filter and spin thermoelectric properties of Au-Fe@C20-Au monomer and dimer systems

Reconnoitring the current characteristics of the double C20 fullerene molecular device in two probe configuration

Magnetic field control of current through model graphene nanosheets

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