One-dimensional Schottky nanodiode based on telescoping polyprismanes

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 onedimensional elements of nanoelectronics.