First principles phase diagram and electronic structure estimation of ZnO1-xSex photoanodes

A Kar, KR Balasubramaniam, DS Monder - Journal of Applied Physics, 2023 - pubs.aip.org
Terminal solid solutions in the Zn O 1− x S ex system (⁠ 0≤ x≤ 0.15, 0.95≤ x≤ 1⁠) exhibit
extreme bandgap reduction attributable to band anti-crossing (BAC). In this work, we …

Band parameters for Zn1−xMoxTe studied by means of spin-polarized first-principles calculations

M Ajmal Khan, A Gueddim, N Bouarissa… - Journal of …, 2020 - Springer
We report on spin-polarized first-principles calculations within the generalized gradient
approximation of structural parameters, dielectric function spectra, and total magnetic …

Effect of oxygen substitution on the optoelectronic properties of the ternary ZnSe1-xOx alloys

I Sekkiou, H Benoudnine, A Boukortt, Y Zidi - Optik, 2016 - Elsevier
The fast advance in the semiconductor technology is very promising for optoelectronics
devices and their future applications in Visible Light Communications (VLC) Systems. In fact …

[PDF][PDF] Band parameters for Zn Mo

MA Khan, A Gueddim, N Bouarissa, H Algarni, H Ziani - 2019 - academia.edu
We report on spin-polarized first-principles calculations within the generalized gradient
approximation of structural parameters, dielectric function spectra, and total magnetic …