ARTICLE
TITLE

First Principles Calculations of Carbon-Nanotube and Boron-Nanotube Based Single Electron Transistors

SUMMARY

Low power consumption, small device size and better controlled onto the charge carriers are the factors, that made Single-electron transistor (SET) a suitable candidate for molecular electronics; yet there are some improvements that can be done in order to use it practically. The single electron transistor (SET) operates through the tunnelling of electron via two tunnel junctions. Choosing a suitable island material plays a key role in the tunnelling of electron through the tunnel junctions. In the present work, the First principle calculations of carbon-nanotube and boron-nanotube based Single-Electron Transistors have been performed. The three types of configurations of nanotubes i.e. zigzag (5,0), armchair (3,3) and chiral (4,2), of the smallest possible diameter (approximately 4A ),have been used. The calculations have been carried out using Atomistic toolkit (ATK-VNL) simulation package which is a density functional theory (DFT) based package. In the present work, local density approximations (LDA) as well as generalized gradient approximation(GGA) have been used to demonstrate the properties of nanotubes-based SET. These approaches have been implemented for a nanotube that is lying just above the gate dielectric. On the either side of the dielectric the electrodes are present, source in the left and drain in the right. The metallic electrodes made of gold (W=5.28eV) and the dielectric material of the dielectric constant  have been used. The charging energies and additional energies of both types of nanotubes-based SET in the isolated as well as in the electrostatic environment have been calculated using the approximations. The calculated values of the charging energies in the electrostatic environment have been found to be less than the charging energies in isolated configuration that shows the renormalization of molecular energy levels. Variations of total energies against gate voltages and Charge stability diagrams (CSD) have been discussed.

 Articles related

Sukhender Sukhender, Pravesh Pravesh, Lalit Mohan, Ajay Singh Verma    

Herein, optoelectronic, elastic and magnetic properties of L21 structured Co2VZ (Z= Pb, Si, Sn) full Heusler compounds have been investigated by two methods. One is full potential linearized augmented plane wave (FP-LAPW) method as implemented in WIEN2k ... see more


O. Ivashtenko    

The greenhouse is a tool for the accumulation of solar energy and its conversion into heat. The article investigates the heating of the greenhouse caused by the difference in the transmissivity of glass in different wavelength ranges. Firstly, some facts... see more


Van Quang Tran    

Bi2O2Se has been known as a promising thermoelectric material with low thermal conductivity. Detail understanding of band structure is therefore important. In this report, by employing first-principles density functional theory and using primitive unit c... see more


Honglei WU, Zuoyan QIN, Zheng YAN, Zhenhua SUN, Baikui Li, Ruisheng ZHENG    

This paper focuses on the detailed investigation of the structural and electronic properties of wurtzite AlN crystals doped by Li with and without oxygen with the first principles calculation. All the calculations have exhibited significant structural di... see more


Haiguang RUAN, Fuxiang HUANG, Zhaochao ZHANG, Zhi Qian CHEN    

The first principles calculations were performed to study the sit preferences and effects on elastic properties with the Cambridge sequential total energy package (CASTEP) code for the Ni3Al system doped with the alloying element M (Ti, Nb). It was found... see more