Doping has significantly affected the characteristics and performance of semiconductor
electronic devices. In this work, we study the charge transfer processes for 8.5–22.5 keV C …

Real space pseudopotentials have a number of advantages in solving for the electronic
structure of materials. These advantages include ease of implementation, implementation on …

We examine the electronic properties of Sb and F doped SnO 2 nanocrystals up to 2.4 nm in
diameter. A real-space pseudopotential implementation of density functional theory is …

We examine the vibrational properties and Raman spectra of Si–Ge core-shell
nanostructures using real-space pseudopotentials constructed within density functional …

We examine the vibrational and Raman spectra for Li doped Si nanocrystals using real-
space pseudopotentials constructed within density functional theory. We calculate …

Nitrogen doped SiC nanoclusters of various shapes and polytype structures were modeled
in the framework of density functional theory using the PBE0 hybrid functional. While in the …

Advances in computing technology coupled with theoretical developments on the electronic
structure problem have laid the foundation for the rapidly growing field of computational …