@inproceedings{a933f92881024aa5871ba8ee95c4ee7e,
title = "A density-functional study of oxygen impurity complexes in CdTe",
abstract = "Using a first-principle density functional theory we have calculated the electronic and vibrational structures of two families of oxygen impurities in CdTe: an oxygen atom substituting for Te and an oxygen molecule (O 2) located inside a Cd vacancy. The stretching mode frequency of the latter was found to be 1112.5cm -1 and is infra-red (IR) active. We suggest that this mode is responsible for the experimentally observed 1104cm -1 IR absorption peak which has been attributed to a substitutional oxygen plus a neighboring Cd vacancy complex. The band structure calculation suggests that the V Cd-O 2 complex behaves like a deep acceptor in CdTe.",
keywords = "CdTe, defect complexes, localized vibration modes, Oxygen",
author = "Wei Cheng and Lei Liu and Yu, {Peter Y.} and Zhixun Ma and Mao, {Samuel S.}",
year = "2011",
doi = "10.1063/1.3666269",
language = "British English",
isbn = "9780735410022",
series = "AIP Conference Proceedings",
pages = "85--86",
booktitle = "Physics of Semiconductors - 30th International Conference on the Physics of Semiconductors, ICPS-30",
note = "30th International Conference on the Physics of Semiconductors, ICPS-30 ; Conference date: 25-07-2010 Through 30-07-2010",
}