Electronic Structure Of ZnTe:O

Abstract

Highly lattice mismatched semiconductors are promising candidates for multiple‐band solar cell materials. Using the newly developed linear scaling three dimensional fragment method, we found that ZnTe1−xOx can be used for an intermediate‐band state solar cell material with a theoretical efficiency of 63%. We show that the intermediate band states in this system is a result of the coupling between oxygen impurity states, contrary to the previous claim that the intermediate‐band states are due to the coupling of the impurity state with the conduction band states.