  CdTe and its alloy CdTeSe are widely used in optoelectronic devices, such as
radiation detectors and solar cells, due to their superior electrical
properties. However, the formation of defects and defect complexes in these
materials can significantly affect their performance. As a result,
understanding the defect formation and recombination processes in CdTe and
CdTeSe alloy is of great importance. In recent years, density functional theory
(DFT) calculations have emerged as a powerful tool for investigating the
properties of defects in semiconductors. In this paper, we use DFT+U
calculations to comprehensively study the properties of intrinsic defects as
well as extrinsic defects induced by commonly used dopants, such as Cu and
group V elements, in CdTe and CdTeSe alloy. This work provides insights into
the effects of these defects on the electrical and optical properties of the
material.
