Novel semiconducting materials for optoelectronic applications: Al1−xTlxN alloys

Abstract

We proprose the ternary semiconducting Al1−xTlxNalloys as new material for optoelectronic applications. Ab initio calculations have been performed to study structural, electronic, and optical properties of the theoretically designed thallium-aluminum based nitride alloys. We found that the lattice constants vary linearly with thallium composition whereas the band gap and absorption edge span from ultraviolet to infrared energy region by increasing thallium content which make the predicted material interesting for infrared optical devices among other technological applications.