Hinreiner, Matthias and Ryndyk, Dmitry A. and Usvyat, Denis and Merz, Thomas and Schuetz, Martin and Richter, Klaus (2013) Influencing the conductance in biphenyl-like molecular junctions with THz radiation. PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, 250 (11). pp. 2408-2416. ISSN 0370-1972, 1521-3951
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We investigate the torsional vibrations in biphenyl-like molecular junctions and transport properties in the presence of an external THz field. Ab initio calculations including external electric fields show that the torsional angle of a thiolated biphenyl junction exhibits virtually no response. However, if functional groups are added to the molecule, creating a dipole moment in each of the rings, an external field becomes more effective for changing . A model based on the cos2 phi dependence of the current for low bias voltages has been proposed for the biphenyl-like molecular junctions in presence of an external THz field including 2,2-bipyridine, 3,3-bipyridine, and 2,2,4,4-tetramethyl-3,3-bipyridine. The current through these molecules is shown to change if the THz frequency gets in resonance to the torsional vibration mode. Dithiolated bipyridine between gold leads in the presence of external THz radiation.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | CONFORMATION; RECTIFIERS; TRANSPORT; BARRIER; ab initio methods; molecular electronics; nanoscale modeling; THz fields |
| Subjects: | 500 Science > 530 Physics 500 Science > 540 Chemistry & allied sciences |
| Divisions: | Physics > Institute of Theroretical Physics > Chair Professor Richter > Group Klaus Richter Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie > Research Group Theoretical Chemistry > Prof. Dr. Martin Schütz Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie > Research Group Theoretical Chemistry > PD Dr. Denis Usvyat |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 25 Mar 2020 12:35 |
| Last Modified: | 25 Mar 2020 12:35 |
| URI: | https://pred.uni-regensburg.de/id/eprint/15695 |
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