Design of a Three-Terminal Nanodevice: Controlled Molecular Rectifier

Abstract

The fabrication of nanodevices with specific molecular rectifying function is one of the most significant needs in nanotechnology. In this paper we show by first principle quantum mechanics calculations, the design of an organic three-terminal device. This molecular structure has a molecular source, drain and gate. Our results are consistent with significant features as a controlled molecular rectifier (CMR) and can be summarized as: (i) it works as three devices in one integrated (TRIAC, SCR and Schottky diode) depending of operational conditions; (ii) it could be used as bi-directional rectifier; (iii) Inherent from quantum transport properties could be switched on without gate current (for voltages equal or lower [greater] than −3.5 V [2.0 V]); (iv) the molecular device doesn't allow depletion capacitance under reverse bias. In this work we apply a scheme for the transport mechanism based on properties of and bonds type that can be extremely useful to construct organic devices with applications in nanotechnology.

Theoretical and experimental investigation into environment dependence and electric properties for volatile memory based on methyl-red dye thin film

“…Density Functional Theory (DFT) by B3LYP/6-31G ** calculations implemented by Gaussian program was used to obtain the minimal energy geometry of the molecular structure [12]. The interactions were simulated by sequential Monte Carlo (MC) computational calculations [13] and references therein.…”