Local and electronic structure around Ga in CdTe: evidence of DX- and A-centers
Apstrakt
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.
Ključne reči:
lattice relaxation / augmented plane waves plus local orbitals / defect structuresIzvor:
Journal of Synchrotron Radiation, 2013, 20, 166-171Napomena:
- 7th International Workshop on X-Ray Damage to Biological Crystalline Samples, Mar 14-16, 2012, England
DOI: 10.1107/S0909049512042197
ISSN: 0909-0495; 1600-5775
PubMed: 23254670
WoS: 000312561300021
Scopus: 2-s2.0-84871403677
Kolekcije
Institucija/grupa
VinčaTY - JOUR AU - Koteski, Vasil J. AU - Belošević-Čavor, Jelena AU - Fochuk, Petro AU - Mahnke, Heinz-Eberhard PY - 2013 UR - https://vinar.vin.bg.ac.rs/handle/123456789/6990 AB - 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. T2 - Journal of Synchrotron Radiation T1 - Local and electronic structure around Ga in CdTe: evidence of DX- and A-centers VL - 20 SP - 166 EP - 171 DO - 10.1107/S0909049512042197 ER -
@article{ author = "Koteski, Vasil J. and Belošević-Čavor, Jelena and Fochuk, Petro and Mahnke, Heinz-Eberhard", year = "2013", 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.", journal = "Journal of Synchrotron Radiation", title = "Local and electronic structure around Ga in CdTe: evidence of DX- and A-centers", volume = "20", pages = "166-171", doi = "10.1107/S0909049512042197" }
Koteski, V. J., Belošević-Čavor, J., Fochuk, P.,& Mahnke, H.. (2013). Local and electronic structure around Ga in CdTe: evidence of DX- and A-centers. in Journal of Synchrotron Radiation, 20, 166-171. https://doi.org/10.1107/S0909049512042197
Koteski VJ, Belošević-Čavor J, Fochuk P, Mahnke H. Local and electronic structure around Ga in CdTe: evidence of DX- and A-centers. in Journal of Synchrotron Radiation. 2013;20:166-171. doi:10.1107/S0909049512042197 .
Koteski, Vasil J., Belošević-Čavor, Jelena, Fochuk, Petro, Mahnke, Heinz-Eberhard, "Local and electronic structure around Ga in CdTe: evidence of DX- and A-centers" in Journal of Synchrotron Radiation, 20 (2013):166-171, https://doi.org/10.1107/S0909049512042197 . .