Double Gated Single Molecular Transistor for Charge Detection

TL;DR

This paper investigates a double-gated single molecular transistor based on 1,3-Cyclobutadiene, demonstrating enhanced charge detection capabilities through first-principles calculations, with potential for room-temperature applications.

Contribution

It introduces a novel double-gated geometry for single molecular transistors, enabling improved charge state control and sensing at room temperature.

Findings

Charge stability diagram shows distinct charge states in Coulomb blockade regime.

Adding a top gate significantly influences the molecule's energy states.

The device can operate as a room-temperature charge sensor.

Abstract

The electrostatic behaviour of an 1,3-Cyclobutadiene (C$_{4}$H$_{4}$) based Single Molecular Transistor (SMT) has been investigated using the first principle calculation based on Density functional Theory and non-equilibrium Green's function approach. While the molecule is placed on top of a dielectric layer (backed by a metallic gate) and weakly coupled between the Source/Drain electrodes, the charge stability diagram revealed the presence of individual charge states in the Coulomb Blockade regime. This gets affected significantly on addition of an another gate electrode placed on the top of the molecule. This modified double-gated geometry allows additional control of the total energy of the system that is sensitive to the individual charge states of the molecule which can be used as a charge sensing technique operational at room temperature.