TY  - JOUR
AU  - Mahnke, Heinz-Eberhard
AU  - Haas, H
AU  - Holub-Krappe, E
AU  - Koteski, Vasil J.
AU  - Novaković, Nikola
AU  - Fochuk, P
AU  - Panchuk, O
PY  - 2005
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/6507
AB  - We have measured the lattice distortion around As (acceptor), Se (isovalent), and Br (donor) in CdTe with fluorescence detected X-ray absorption spectroscopy (XAFS). The experimental challenge lies in the compromise between a concentration high enough for X-ray absorption and low enough to avoid compensation and clustering. We could experimentally verify the lattice relaxation with a bond length reduction of 8% around the As atom as inferred indirectly from ab initio calculations of the electric field gradient in comparison with the measured value in a Perturbed Angular Correlation (PAC) experiment as recently reported. Our calculations of relaxation were performed with the WIEN97 package using the linearised augmented plane wave (LAPW) method and the FHI96md pseudopotential (PP) program. Using a super-cell approach for As on the Te site in CdTe, we find good convergence with increasing cell size so that the result can be taken as representative for the low doping limit. The extension to the neighbouring isovalent element Se again yields perfect agreement between experiment and model calculation with a sizeable lattice mismatch. In the case of Br, we find a sizeable increase of the bond length which may be taken as evidence for the high tendency of Br to form a Br A-center (Br plus metal vacancy) in CdTe. (c) 2004 Elsevier B.V. All rights reserved.
T2  - Thin Solid Films
T1  - Lattice distortion around impurity atoms as dopants in CdTe
VL  - 480
SP  - 279
EP  - 282
DO  - 10.1016/j.tsf.2004.11.059
ER  - 

@article{
author = "Mahnke, Heinz-Eberhard and Haas, H and Holub-Krappe, E and Koteski, Vasil J. and Novaković, Nikola and Fochuk, P and Panchuk, O",
year = "2005",
abstract = "We have measured the lattice distortion around As (acceptor), Se (isovalent), and Br (donor) in CdTe with fluorescence detected X-ray absorption spectroscopy (XAFS). The experimental challenge lies in the compromise between a concentration high enough for X-ray absorption and low enough to avoid compensation and clustering. We could experimentally verify the lattice relaxation with a bond length reduction of 8% around the As atom as inferred indirectly from ab initio calculations of the electric field gradient in comparison with the measured value in a Perturbed Angular Correlation (PAC) experiment as recently reported. Our calculations of relaxation were performed with the WIEN97 package using the linearised augmented plane wave (LAPW) method and the FHI96md pseudopotential (PP) program. Using a super-cell approach for As on the Te site in CdTe, we find good convergence with increasing cell size so that the result can be taken as representative for the low doping limit. The extension to the neighbouring isovalent element Se again yields perfect agreement between experiment and model calculation with a sizeable lattice mismatch. In the case of Br, we find a sizeable increase of the bond length which may be taken as evidence for the high tendency of Br to form a Br A-center (Br plus metal vacancy) in CdTe. (c) 2004 Elsevier B.V. All rights reserved.",
journal = "Thin Solid Films",
title = "Lattice distortion around impurity atoms as dopants in CdTe",
volume = "480",
pages = "279-282",
doi = "10.1016/j.tsf.2004.11.059"
}

Mahnke, H., Haas, H., Holub-Krappe, E., Koteski, V. J., Novaković, N., Fochuk, P.,& Panchuk, O.. (2005). Lattice distortion around impurity atoms as dopants in CdTe. in Thin Solid Films, 480, 279-282.
https://doi.org/10.1016/j.tsf.2004.11.059

Mahnke H, Haas H, Holub-Krappe E, Koteski VJ, Novaković N, Fochuk P, Panchuk O. Lattice distortion around impurity atoms as dopants in CdTe. in Thin Solid Films. 2005;480:279-282.
doi:10.1016/j.tsf.2004.11.059 .

Mahnke, Heinz-Eberhard, Haas, H, Holub-Krappe, E, Koteski, Vasil J., Novaković, Nikola, Fochuk, P, Panchuk, O, "Lattice distortion around impurity atoms as dopants in CdTe" in Thin Solid Films, 480 (2005):279-282,
https://doi.org/10.1016/j.tsf.2004.11.059 . .

TY  - JOUR
AU  - Mahnke, Heinz-Eberhard
AU  - Haas, H
AU  - Koteski, Vasil J.
AU  - Novaković, Nikola
AU  - Fochuk, P
AU  - Panchuk, O
PY  - 2004
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/6567
AB  - We have measured the lattice distortion around As (acceptor) and Br (donor) in CdTe With fluorescence detected X-ray absorption spectroscopy. We Could experimentally verify the lattice relaxation with a bond length reduction of 8% around the As atom as inferred indirectly from ab initio calculations of the electric field gradient performed with the WIEN97 package in comparison with the measured value in a Perturbed Angular Correlation experiment as recently reported. We have complemented Our own calculations of relaxation with WIEN97 with calculations using the FH196md pseudo-potential program, which allows the use of larger super-cell sizes. Encouraged by the good agreement between experiment and model calculation for As in CdTe as well as similarly for the isovalent Se in CdTe, we extended Our investigation to Br in CdTe, where the electric field gradient has also been Measured, and Could not only verify the derived lattice expansion around Br with Our EXAFS analysis but additionally observe fractions of Br in the A-center as well as in a DX-center configuration.
T2  - Hyperfine Interactions
T1  - Experimental verification of calculated lattice relaxations around impurities in CdTe
VL  - 158
IS  - 1-4
SP  - 353
EP  - 359
DO  - 10.1007/s10751-005-9053-z
ER  - 

@article{
author = "Mahnke, Heinz-Eberhard and Haas, H and Koteski, Vasil J. and Novaković, Nikola and Fochuk, P and Panchuk, O",
year = "2004",
abstract = "We have measured the lattice distortion around As (acceptor) and Br (donor) in CdTe With fluorescence detected X-ray absorption spectroscopy. We Could experimentally verify the lattice relaxation with a bond length reduction of 8% around the As atom as inferred indirectly from ab initio calculations of the electric field gradient performed with the WIEN97 package in comparison with the measured value in a Perturbed Angular Correlation experiment as recently reported. We have complemented Our own calculations of relaxation with WIEN97 with calculations using the FH196md pseudo-potential program, which allows the use of larger super-cell sizes. Encouraged by the good agreement between experiment and model calculation for As in CdTe as well as similarly for the isovalent Se in CdTe, we extended Our investigation to Br in CdTe, where the electric field gradient has also been Measured, and Could not only verify the derived lattice expansion around Br with Our EXAFS analysis but additionally observe fractions of Br in the A-center as well as in a DX-center configuration.",
journal = "Hyperfine Interactions",
title = "Experimental verification of calculated lattice relaxations around impurities in CdTe",
volume = "158",
number = "1-4",
pages = "353-359",
doi = "10.1007/s10751-005-9053-z"
}

Mahnke, H., Haas, H., Koteski, V. J., Novaković, N., Fochuk, P.,& Panchuk, O.. (2004). Experimental verification of calculated lattice relaxations around impurities in CdTe. in Hyperfine Interactions, 158(1-4), 353-359.
https://doi.org/10.1007/s10751-005-9053-z

Mahnke H, Haas H, Koteski VJ, Novaković N, Fochuk P, Panchuk O. Experimental verification of calculated lattice relaxations around impurities in CdTe. in Hyperfine Interactions. 2004;158(1-4):353-359.
doi:10.1007/s10751-005-9053-z .

Mahnke, Heinz-Eberhard, Haas, H, Koteski, Vasil J., Novaković, Nikola, Fochuk, P, Panchuk, O, "Experimental verification of calculated lattice relaxations around impurities in CdTe" in Hyperfine Interactions, 158, no. 1-4 (2004):353-359,
https://doi.org/10.1007/s10751-005-9053-z . .