Electronic and thermal properties of Biphenyl molecules

Medina, F.G., Ojeda, J.H., Duque, C.A. and Laroze, D. (2015) Electronic and thermal properties of Biphenyl molecules. Superlattices and Microstructures, 87, pp. 89-96. (doi: 10.1016/j.spmi.2015.06.017)

Abstract

Transport properties of a single Biphenyl molecule coupled to two contacts are studied. We characterise this system by a tight-binding Hamiltonian. Based on the non-equilibrium Green’s functions technique with a Landauer–Büttiker formalism the transmission probability, current and thermoelectrical power are obtained. We show that the Biphenyl molecule may have semiconductor behavior for certain values of the electrode–molecule–electrode junctions and different values of the angle between the two rings of the molecule. In addition, the density of states (DOS) is calculated to compare the bandwidths with the profile of the transmission probability. DOS allows us to explain the asymmetric shape with respect to the molecule’s Fermi energy.

• Item Type: Articles
• Status: Published
• Refereed: Yes
• Glasgow Author(s) Enlighten ID: Laroze, Dr David
• Authors: Medina, F.G., Ojeda, J.H., Duque, C.A., and Laroze, D.
• College/School: College of Science and Engineering > School of Physics and Astronomy
• Journal Name: Superlattices and Microstructures
• Publisher: Elsevier B.V.
• ISSN: 0749-6036
• ISSN (Online): 1096-3677
• Published Online: 16 June 2015
• Copyright Holders: Copyright © 2015 Elsevier B.V.
• First Published: First published in Superlattices and Microstructures 87:89-96
• Publisher Policy: Reproduced in accordance with the copyright policy of the publisher.