Inspired by the success of graphene, various two dimensional (2D) structures in free
standing (FS)(hypothetical) form and on different substrates have been proposed recently …

The electronic and transport properties of sawtooth penta-graphene nanoribbons
(SSPGNRs) are investigated using density functional theory and semi-empirical extended …

We perform a theoretical investigation about the valley dynamics of interlayer excitons (IXs)
in Mo S 2/WS 2 heterostructure with AB stacking configuration grown on ferromagnetic …

Novel two-dimensional materials such as graphene and silicene have been heralded as
possibly revolutionary in future nanoelectronics. High mobilities, and in the case of silicene …

A nonorthogonal localized basis-set implementation of the driven Liouville von Neumann
(DLvN) approach is presented. The method is based on block-orthogonalization of the …

In this research, the electronic characteristics of germanene sheet and nanoribbons using
the computational modeling, simulation and tight binding approximation are investigated …

In this work, we report the eigenenergies spectra for GA sequences present on human
chromosome 7, obtained from an entirely atomistic Extended Huckel single-strand DNA …

This paper presents an efficient method to calculate the influence of structural defects on the
energy levels and energy band-gap for the 4H-SiC semiconductor. The semi-empirical …

In this paper, we investigate the electronic characteristics of germanene using the tight
binding approximation. Germanene as the germanium-based analogue of graphene has …

A simulated annealing (SA) approach is employed in the determination of different tight
binding (TB) sets of parameters for the nitride semiconductors AlN, GaN and InN, as well …