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  - Koteski, Vasil J.
AU  - Haas, H.
AU  - Holub-Krappe, E.
AU  - Ivanović, Nenad
AU  - Mahnke, Heinz-Eberhard
PY  - 2005
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/2719
AB  - We have investigated the lattice relaxation around impurity atoms at the anion sublattice in CdTe, such as As acting as acceptor and Se which is isovalent to Te, with fluorescence detected EXAFS. We experimentally verify the lattice relaxation with a bond length being reduced by 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 PAC experiment (S. Lany et al., Phys. Rev. B 62, R2259 (2000)). In the case of the isovalent impurity atom Se, the bond length is similarly reduced as determined experimentally by EXAFS and by model calculations with the density functional theory implemented in the WIEN97 program. In contrast to this inward relaxation, preliminary calculations for Br in CdTe, the next element in the series As, Se, and Br, which acts as donor at the Te sublattice, indicate an increase in bond length, an interesting prediction waiting for experimental verification.
T2  - Physica Scripta
T1  - Lattice relaxation around arsenic and selenium in CdTe
VL  - T115
SP  - 369
EP  - 371
UR  - https://hdl.handle.net/21.15107/rcub_vinar_2719
ER  - 

@article{
author = "Koteski, Vasil J. and Haas, H. and Holub-Krappe, E. and Ivanović, Nenad and Mahnke, Heinz-Eberhard",
year = "2005",
abstract = "We have investigated the lattice relaxation around impurity atoms at the anion sublattice in CdTe, such as As acting as acceptor and Se which is isovalent to Te, with fluorescence detected EXAFS. We experimentally verify the lattice relaxation with a bond length being reduced by 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 PAC experiment (S. Lany et al., Phys. Rev. B 62, R2259 (2000)). In the case of the isovalent impurity atom Se, the bond length is similarly reduced as determined experimentally by EXAFS and by model calculations with the density functional theory implemented in the WIEN97 program. In contrast to this inward relaxation, preliminary calculations for Br in CdTe, the next element in the series As, Se, and Br, which acts as donor at the Te sublattice, indicate an increase in bond length, an interesting prediction waiting for experimental verification.",
journal = "Physica Scripta",
title = "Lattice relaxation around arsenic and selenium in CdTe",
volume = "T115",
pages = "369-371",
url = "https://hdl.handle.net/21.15107/rcub_vinar_2719"
}

Koteski, V. J., Haas, H., Holub-Krappe, E., Ivanović, N.,& Mahnke, H.. (2005). Lattice relaxation around arsenic and selenium in CdTe. in Physica Scripta, T115, 369-371.
https://hdl.handle.net/21.15107/rcub_vinar_2719

Koteski VJ, Haas H, Holub-Krappe E, Ivanović N, Mahnke H. Lattice relaxation around arsenic and selenium in CdTe. in Physica Scripta. 2005;T115:369-371.
https://hdl.handle.net/21.15107/rcub_vinar_2719 .

Koteski, Vasil J., Haas, H., Holub-Krappe, E., Ivanović, Nenad, Mahnke, Heinz-Eberhard, "Lattice relaxation around arsenic and selenium in CdTe" in Physica Scripta, T115 (2005):369-371,
https://hdl.handle.net/21.15107/rcub_vinar_2719 .