Title |
Local and electronic structure around Ga in CdTe: evidence of DX‐ and A‐centers
|
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Published in |
Journal of Synchrotron Radiation (International Union of Crystallography - IUCr), November 2012
|
DOI | 10.1107/s0909049512042197 |
Pubmed ID | |
Authors |
Vasil Koteski, Jelena Belošević-Čavor, Petro Fochuk, Heinz Eberhard Mahnke |
Abstract |
The lattice relaxation around Ga in CdTe is investigated by means of extended X-ray absorption spectroscopy (EXAFS) and density functional theory (DFT) calculations using the linear augmented plane waves plus local orbitals (LAPW+lo) method. In addition to the substitutional position, the calculations are performed for DX- and A-centers of Ga in CdTe. The results of the calculations are in good agreement with the experimental data, as obtained from EXAFS and X-ray absorption near-edge structure (XANES). They allow the experimental identification of several defect structures in CdTe. In particular, direct experimental evidence for the existence of DX-centers in CdTe is provided, and for the first time the local bond lengths of this defect are measured directly. |
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