Electronic, lattice vibration and mechanical properties of CdTe, ZnTe, MnTe, MgTe, HgTe and their ternary alloys

Abstract

The main representative telluride family, CdTe, ZnTe, MnTe, MgTe and HgTe, and their mixed ternary alloys have been extensively studied, but some points bearing on phonon frequencies properties have never been previously reported or are still not clear. In this paper, we report results on the electronic, lattice dynamical and mechanical properties for this family in the zinc-blende (ZB) structure. Numerical calculations based on the empirical pseudo-potential method under the virtual crystal approximation combined with the Harrison bond orbital model are used to investigate these properties. Our results are found to be generally in good agreement with the available experimental data. Other case, our results are predictions and may serve as a reference. The information derived from the present study demonstrates the potential of the materials of interest for optoelectronic and photovoltaic device applications from the ultraviolet to infrared and mid-infrared. © 2009 IOP Publishing Ltd.