Reassignment of the O<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mrow /><mml:mtext>Te</mml:mtext></mml:msub></mml:math>-<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mi>V</mml:mi><mml:mtext>Cd</mml:mtext></mml:msub></mml:math>complex in CdTe

Lavrov, E. V.; Bastin, D.; Weber, J.; Schneider, J.; Fauler, A.; Fiederle, M.

doi:10.1103/physrevb.84.233201

Cited by 7 publications

(13 citation statements)

References 22 publications

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“…In this paper, we focused our attentions on the study of oxygen O and sulfur S complex defects in CdTe based on the experimental results studied by Lavrov et al 10 and Chen et al 6 There are several plausible candidates of oxygensulfur complex defects in CdTe to be investigated. To gain a better understanding of the building block of these complexes, first, individual defects (O and S) were separately investigated.…”

Section: Resultsmentioning

confidence: 99%

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Identification of oxygen defects in CdTe revisited: First-principles study

T‐Thienprasert

Watcharatharapong

Fongkaew

et al. 2014

Journal of Applied Physics

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Native defects and oxygen and hydrogen-related defect complexes in CdTe: Density functional calculations J. Appl. Phys.By using first-principles calculations, several SO 2 complexes in CdTe were studied. Based on experimental observation, SO 2 complexes have been recently proposed by Lavrov et al. [Phys. Rev. B. 84, 233201 (2011)] to be the cause of the observed IR absorption peaks at 1096.8 and 1108.4 cm À1 in O-doped CdTe. Chen et al. [Phys. Rev. Lett. 96, 035508 (2006)] were originally proposed that the peaks come from O Te -V Cd complex. Our calculations indicate that the SO 2 molecule on the Te site [(SO 2 ) Te ] has a low formation energy but its calculated vibration frequencies ($900 cm À1 ) are lower than the observed IR modes. However, (SO 2 ) Te can form a complex with V Cd with two possible configurations that give the vibration frequencies in a good agreement with the two observed IR peaks. The binding energies of the complex in these two configurations are about 1 eV under p-type conditions; indicating that the complex is quite stable. The two configurations are related to each other by a rotation of the SO 2 molecule with an energy barrier of $0.4 eV. Therefore, the two configurations can co-exist at a low temperature and the high energy one gradually transforms to the low energy one as temperature increases. This agrees with the experimental observation that, at a high temperature, the two IR modes merged into one. V C 2014 AIP Publishing LLC. [http://dx.

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Section: Resultsmentioning

confidence: 99%

“…8 More recently, Lavrov et al have experimentally reexamined the LVMs of oxygen impurity in CdTe by using FTIR technique. 10 In their work, the sample was prepared by using single-crystal CdTe and CdSO 4 vapor as a source of sulfur and oxygen impurities. Surprisingly, the IR absorption lines at 1096.8 and 1108.4 cm À1 were reproduced.…”

Section: Introductionmentioning

confidence: 99%

Identification of oxygen defects in CdTe revisited: First-principles study

T‐Thienprasert

Watcharatharapong

Fongkaew

et al. 2014

Journal of Applied Physics

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“…A possible explanation could be a formation of other sulfur-oxygen-related complexes with LVMs close to the γ-lines. Based on the similarities between CdSe and the results obtained for the SO * 2 complex in CdTe we suggest that the γ-lines have the same origin [12]. Theoretical support of this model is needed.…”

Section: Resultsmentioning

confidence: 68%

“…It is shown that a sulfur-dioxygen (SO * 2 ) complex is the most plausible candidate for the γ-lines. Note that a similar situation was reported in CdTe where two absorption lines originally attributed to the LVMs of a O Te -V Cd complex [10,11] were recently reassigned to LVMs of different orientations of a SO * 2 in the host lattice [12].…”

Section: Introductionmentioning

confidence: 76%

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Reassignment of the OSe−VCd complex in CdSe

Bastin¹,

Lavrov²,

Weber³

2014

AIP Conference Proceedings

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An IR absorption study of CdSe single crystals is presented. The as-received material revealed three absorption lines at 1094.2, 1107.5, and 1126.3 cm −1 , which were previously assigned to the O Se -V Cd complex [G. Chen et al., Phys. Rev. Lett. 101, 195502 (2008)] We show that each of the lines is accompanied by a number of weaker satellites with intensities which match the natural abundances of sulfur isotopes. In contrast to the original identification it is suggested that these peaks are local vibrational modes of a SO n complex. The three modes correspond to different orientations of the complex in the CdSe lattice. Arguments are presented in favor of 2 oxygen atoms (n = 2) in the complex. Measurements with uniaxial stress applied to the samples revealed defect symmetries and activation energies for the defect reorientation. The complex was found to be stable up to 750 • C.

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SO₄ in Cadmium Chalcogenides: CdSe versus CdTe

Herklotz

Lavrov

Мельников

2022

Physica Status Solidi (b)

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A study combining infrared (IR) absorption spectroscopy and first‐principles theory is presented for a sulfur–oxygen complex in CdSe characterized by IR absorption lines located at 1094, 1107, and 1126 cm−1 (10 K). The properties of the center are compared to a similar species occurring in CdTe that gives rise to two absorption lines at 1097 and 1108 cm−1 (10 K). Temperature‐ and polarization‐sensitive measurements performed on 18O‐enriched samples reveal that for both materials the IR absorption lines are due to split stretch vibrations of a distorted sulfate () tetrahedron, whereby the local point group of the complex is reduced to and in hexagonal CdSe and cubic CdTe, respectively. Measurements on the vibrational spectrum of the sulfate species in the spectral range of symmetric stretch (), bend (), and combination modes () are presented. The cation vacancy is discussed as a likely site occupied by in CdSe.

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Reassignment of the OTe-VCdcomplex in CdTe

Cited by 7 publications

References 22 publications

Identification of oxygen defects in CdTe revisited: First-principles study

Identification of oxygen defects in CdTe revisited: First-principles study

Reassignment of the OSe−VCd complex in CdSe

SO₄ in Cadmium Chalcogenides: CdSe versus CdTe

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Reassignment of the OTe-VCdcomplex in CdTe

Cited by 7 publications

References 22 publications

Identification of oxygen defects in CdTe revisited: First-principles study

Identification of oxygen defects in CdTe revisited: First-principles study

Reassignment of the OSe−VCd complex in CdSe

SO4 in Cadmium Chalcogenides: CdSe versus CdTe

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SO₄ in Cadmium Chalcogenides: CdSe versus CdTe