title: Local and electronic structure around Ga in CdTe: evidence of DX- and A-centers.
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.
authors.affiliation: Vinča Institute of Nuclear Sciences, University of Belgrade, Belgrade, Serbia. vkotes@vin.bg.ac.rs
authors.forename: Vasil
authors.initials: V
authors.lastname: Koteski
authors.forename: Jelena
authors.initials: J
authors.lastname: Belošević-Čavor
authors.forename: Petro
authors.initials: P
authors.lastname: Fochuk
authors.forename: Heinz Eberhard
authors.initials: HE
authors.lastname: Mahnke