Single-Electron Single-Molecule Field Transistor: Quantum Mechanical and Electro Dynamical Treatment with Benzene Molecule as an Example

Authors: Kruglyak Yu.A., Kruglyak N.E.

Year: 2011

Issue: 12

Pages: 201-214

Abstract

The first-principle methods for calculating the charging molecular energies and charge stability diagram of the benzene molecule single-electron transistor under the Coulomb blockade regime were applied using the densityfunctional theory for modeling molecular properties and continuum model to describe SET environment as well as a self-consistent approach to treat the interaction between the molecule and the SET environment.

Tags: benzene; Coulomb blockade; DFT; molecular electronics; MS-SET; SET

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