Transition metals doped CuAlSe2for promising intermediate band materials

Optical properties of chalcopyrite-type intermediate transition metal band materials from first principles

The optical properties of a novel potential high-efficiency photovoltaic material have been studied. This material is based on a chalcopyritetype semiconductor (CuGaSa) with some Ga atom substituted by Ti and is characterized by the formation of an isolated transition-metal band between the valence band and the conduction band. We present a study in which ab-initio density functional theory cal...

Tailoring the Energy Band Gap of Transition Metal Doped TiO2 Thin Film

Water splitting for hydrogen production under sunlight using TiO2 as photo catalyst provides a better route for solar energy and attracts the attention of many researchers. The photo catalytic activity of TiO2 under sunlight irradiation depends on the band gap energy. The transition metal doped TiO2 shows an edge over TiO2 in optical absorbance and photo catalytic activity. Thin film of Cr dope...

High energy transmission of Al2O3 doped with light transition metals.

The transmission of transparent colored ceramics based on Al(2)O(3) doped with light transition metals is measured in the visible and infrared range. To clarify the role of the dopands we perform ab initio calculations. We discuss the electronic structure and present optical spectra obtained in the independent particle approximation. We argue that the gross spectral features of Co- and Ni-doped...

Energetics of formation of TiGa3As4 and TiGa3P4 intermediate band materials.

Using density functional theory quantum methods, total energy values and vibrational properties have been computed, and thermodynamic properties evaluated, for Ti-substituted GaAs and GaP, proposed as candidates for intermediate band photovoltaic cells. The calculations predict that the formation of these materials from the binary compounds implies an increase in total energy (that is ascribed ...

Nonradiative Lifetimes in Intermediate Band Materials - Absence of Lifetime Recovery