A comparative density functional study of the high-pressure phases of solid ZnX, CdX, and HgX (X = S, Se, and Te): Trends and relativistic effects J. Chem. Phys. 137, 034705 (2012); 10.1063/1.4730300 Native defects and oxygen and hydrogen-related defect complexes in CdTe: Density functional calculations J. Appl. Phys. DX centers induced by both group-III and group-VII donors in CdTe are studied using density functional calculations. The results show that, for group-VII donors, the DX centers with a cation-cation bond ͑␣and -CCB-DX centers͒ are more stable than the previously proposed broken-bond DX ͑BB-DX͒ center and the -CCB-DX center is the most stable. The stability trend found for the CCB-DX centers for different donors in CdTe is consistent with that for GaAs and GaSb, which suggests a general rule that the CCB-DX centers are favored for small donor atoms on anion site especially for semiconductors with large anion size.