Experimental Verification of Calculated Lattice Relaxations Around Impurities in CdTE

Mahnke, H.‐E.; Haas, H.; Koteski, V.; Novaković, Nikola; Fochuk, P.; Panchuk, O.

doi:10.1007/s10751-005-9053-z

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“…The evidence presented for the formation of A-and DXcenters when Ga is introduced into CdTe resembles the situation with Br in CdTe (Mahnke et al, 2004. For Br in CdTe, careful analysis of the EXAFS spectra revealed the occurrence of both A-centers and most likely DX-centers as well.…”

Section: Resultsmentioning

confidence: 61%

Local and electronic structure around Ga in CdTe: evidence of DX- and A-centers

Koteski

Belošević–Čavor

Fochuk

et al. 2012

J Synchrotron Radiat

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Some of the authors of this publication are also working on these related projects:National Academy of Sciences of Ukraine. Study of methods of formation and acceleration of charge particle beams as well as of radiation and nuclear processes at their interaction with matter and Author(s) of this paper may load this reprint on their own web site or institutional repository provided that this cover page is retained. Republication of this article or its storage in electronic databases other than as specified above is not permitted without prior permission in writing from the IUCr.For further information see http://journals.iucr.org/services/authorrights.html Synchrotron radiation research is rapidly expanding with many new sources of radiation being created globally. Synchrotron radiation plays a leading role in pure science and in emerging technologies. The Journal of Synchrotron Radiation provides comprehensive coverage of the entire field of synchrotron radiation research including instrumentation, theory, computing and scientific applications in areas such as biology, nanoscience and materials science. Rapid publication ensures an up-to-date information resource for scientists and engineers in the field. 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. Crystallography Journals Online

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Section: Resultsmentioning

confidence: 61%