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Impact of coupling geometry on thermoelectric properties of oligophenyl-base transistor

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Chinese Physics B 2017年第2期26卷 420-427页

作者： S Ramezani Akbarabadi H Rahimpour Soleimanit m.bagh.ri tagani Z Golsanamlou Computational Nanophysics Laboratory （CNL） Department of Physics University of Guilan Rasbt P. O. Box 41335-1914Iran

Thermal and electron transport through organic molecules attached to three-dimensional gold electrodes in two different configurations, namely para and meta with thiol-terminated junctions is studied theoretically in the linear response regime using Green＇s function formalism. We used thiol-terminated（–SH bond） benzene units and found a positive thermopower because the highest occupied molecular orbital（HOmO） is near the Fermi energy level. We investigated the influence of molecular length and molecular junction geometry on the thermoelectric properties. Our results show that the thermoelectric properties are highly sensitive to the coupling geometry and the molecular length. In addition, we observed that the interference effects and increasing molecular length can increase the thermoelectric efficiency of device in a specific configuration.

关键词： coupling geometry figure of merit Green's function oligophenyl thermopower

Charge and spin-dependent thermal efficiency of polythiophene molecular junction in presence of dephasing

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Chinese Physics B 2015年第10期24卷 576-583页

作者： Z.Golsanamlou m.bagh.ri tagani H.Rahimpour Soleimani Department of Physics University of Guilan

The charge and spin-dependent thermoelectric properties of different lengths of polythiophene in a molecular junction are investigated using the B ¨uttiker probe method within Green function formalism in linear response regime. The coupling of the molecular chain to three-dimensional ferromagnetic electrodes is described by a tight-binding model for both parallel and antiparallel spin configurations. The decrease of height of transmission probability peaks and thermoelectric coefficients are observed in the presence of the B ¨uttiker probes. The reduction is more intensive in the strong dephased *** show that the spin magnetothermopower is bigger than the charge magnetothermopower due to the larger difference between the spin thermopowers with respect to the charge ones. In addition, we observed that the kind of carriers participating in the thermoelectric transport depends on the number of the thiophene rings.

关键词： polythiophene Green function thermoelectric coefficients Buttiker probes ferromagnetic elec-trodes

Thermoelectric Properties of Single molecule Junction in Presence of Dephasing and Different Coupling Geometries

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Communications in Theoretical Physics 2015年第9期64卷 361-366页

作者： Z.Golsanamlou m.bagh.ri tagani H.Rahimpour Soleimani Department of Physics University of Guilan

The thermoelectric properties of a benzene molecule coupled to three-dimensional metallic electrodes are examined in the presence of dephasing processes using Green function formalism in the linear response regime. The three different kind of configurations(ortho, meta and para) are taken into account for the coupling between the molecule and electrodes. Results show that the thermoelectric properties of the single molecular junction are strongly dependent on the coupling geometry. Our results predict that the thermoelectric efficiency is increased in specific geometry as a consequence of interference effects. It is found that the dephasing effects result in the reduction of the thermoelectric efficiency.

关键词： nanostructures electrical conductivity thermal con