One-dimensional Schottky nanodiode based on telescoping polyprismanes

Abstract

In the framework of the density functional theory combined with the method of non-equilibrium Green functions (DFT + NEGF), the electric transport properties of a one-dimensional nanodevice consisting of telescoping polyprismanes with various types of electrical conductivity were studied. Its transmission spectra, density of state, current-voltage characteristic, and differential conductivity are determined. It was shown that C(14,17), C(14,11), C(14,16), C(14,10) show a metallic nature, and polyprismanes C(14,5), C(14,4) possess semiconductor properties and has a band gap of 0.4 eV and 0.6 eV, respectively. It was found that, when metal C(14,11), C(14,10) and semiconductor C(14,5), C(14,4) polyprismanes are coaxially connected, a Schottky barrier is formed and a weak diode effect is observed, i.e., manifested valve (rectifying) property of telescoping polyprismanes. The enhancement of this effect occurs in the nanodevices C(14,17) – C(14,11) – C(14,5) and C(14,16) – C(14,10) – C(14,4), which have the properties of nanodiode and back nanodiode, respectively. The simulation results can be useful in creating promising active one-dimensional elements of nanoelectronics.