Full-potential investigation of the electronic and optical properties of stressed CdTe and ZnTe

A new first principles method was performed in order to study systematically and more accurately the electronic and optical properties of stressed CdTe and ZnTe. Our calculations are based on the full-potential augmented plane wave plus local orbitals approach including d-metal states in the valence bands. The pressure coefficients of the band gaps and deformation potentials were determined. The sublinear behavior with pressure for both the ionic character and the refractive index was checked. Our results are in good agreement with other theoretical and experimental data. © 2004 Published by Elsevier B.V.