Microscopic insight into molecular orbital gating

作者：Mukhopadhyay S^*; Pandey R; Karna S P

来源：Indian Journal of Physics and Proceedings of the Indian Association for the Cultivation of Science, 2014, 88(9): 945-950.

DOI：10.1007/s12648-014-0482-x

• Molecular transistor
• Orbital gating
• Mesoscopic transport
• BDT
• ODT

The molecular orbital gating in the 1,8-octanedithiol (ODT) and 1,4-benzenedithiol (BDT) molecules is investigated using first principles methods. The calculated I-V characteristics as a function of applied gate voltage for the sigma-saturated ODT molecule are found to depend on the microscopic description of the conduction channels. On the other hand, an orbital gating in the BDT-based molecular device system, within the practical limit, is not seen. We find that a non-zero dipole moment along the gate-direction is indispensable in order to obtain the gate-field induced transistor effect, which BDT does not qualify for, due to its symmetric planar structure.

• 出版日期2014-9