Effect of Al doping on electrical properties of Si nanowire

Abstract

In this paper we present a theoretical study of the electron transport properties of Si nanowire and also the electron transport properties of nanowire doped with Al atoms by using Atomistix toolkit (ATK). The differences in the I-V curves obtained with each configuration and their technologic consequences are discussed in detail. ATK is a package which provides efficient calculations of materials transport properties and realistic device simulations to extract current-voltage and transfer characteristics. The simulation results were obtained using local density approximation based on density functional theory (DFT).

Effect of annealing temperature on the optical and electrical properties of Mg doped TiO2 thin films

“…However, in the wavelength range 300 to 400 nm, there is a lot of longitudinal vibration in the higher orbital and transfer of charge particles is ultrafast giving rise to an anomalous behaviour, which is very clearly seen in TiO 2 as-is and other samples too. The band-gap of all the films are calculated from Tauc plot that is a plot between (αhν) n and hν, where hν is the incident photon energy [26][27]. Here α represents the absorption coefficient and power coefficient n can have different values depending on the type of electronic transition.…”

Structural, magnetic, electric and electronic aspects of the Ba2YbSbO6 perovskite material

“…DFT calculations predict the Ba 2 YbSbO 6 perovskite behaving as a semiconductor with E g =2.3 eV while the diffuse reflectance results suggest a behavior of the material as a weak semiconductor with E g =3.62 eV. This difference occurs because in the DFT calculations, the exchange and correlation potential by Perdew, Burke and Ernzerhof [14] gives a very good approximation for the valence and conduction density of states, but is not very accurate for determining the energy gap in semiconductors due to self-interaction errors [21][22], for which it would be more interesting to use a potential specifically designed for this purpose, that uses local functional without Hartree-Fock exchange [23][24]. Thus, considering the uncertainty inherent in calculating the exact value of the Fermi level, from the results presented in figures 7b (DOS) and 8b (experimental energy gap), it is clear that the material behaves as a semiconductor.…”

“…The electronic and band structures were predicted from the application of the Full-Potential Linear Augmented Plane Wave method (FP-LAPW) within the framework of the Kohn-Sham Density Functional Theory (DFT) [13]. The exchange and correlation effects were treated by using the Generalized Gradient Approximation (GGA) [14]. This potential considers the difference between the electronic densities for the two distinct spin orientations from the beginning.…”