Symmetry and thermodynamics of tellurium vacancies in cadmium telluride

Menéndez-Proupín, E.; Casanova-Páez, Marcos; Montero-Alejo, Ana L.; Flores, Mauricio A.; Orellana, Walter

doi:10.1016/j.physb.2019.01.013

Cited by 5 publications

(2 citation statements)

References 43 publications

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“…The other point defects, all of the donor type, generally do not exhibit any defect level within the bandgap of Hg 0:75 Cd 0:25 Te. This is at variant with CdTe which is more likely to host deep defect levels of donors such as V Te 71 due to the much larger bandgap. It is however worth noting that, in the metastable configuration bonded tetrahedrally to four cation atoms, Hg interstitial bears a localized (þ=2þ) donor level located 60 meV above the VBM.…”

Section: Discussionmentioning

confidence: 99%

Native point defects in HgCdTe infrared detector material: Identifying deep centers from first principles

Chen,

Rignanese,

Liu

et al. 2024

Journal of Applied Physics

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We investigate the native point defects in the long-wavelength infrared (LWIR) detector material Hg0.75Cd0.25Te using a dielectric-dependent hybrid density functional combined with spin–orbit coupling. Characterizing these point defects is essential as they are responsible for intrinsic doping and nonradiative recombination centers in the detector material. The dielectric-dependent hybrid functional allows for an accurate description of the bandgap (Eg) for Hg1−xCdxTe (MCT) over the entire compositional range, a level of accuracy challenging with standard hybrid functionals. Our comprehensive examination of the native point defects confirms that cation vacancies VHg(Cd) are the primary sources of p-type conductivity in the LWIR material given their low defect formation energies and the presence of a shallow acceptor level (−/0) near the valence-band maximum. In addition to the shallow acceptor level, the cation vacancies exhibit a deep charge transition level (2−/−) situated near the midgap, characteristic of nonradiative recombination centers. Our results indicate that Hg interstitial could also be a deep center in the LWIR MCT through a metastable configuration under the Hg-rich growth conditions. While an isolated Te antisite does not show deep levels, the formation of VHg–TeHg defect complex introduces a deep acceptor level within the bandgap.

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Section: Discussionmentioning

confidence: 99%

Native point defects in HgCdTe infrared detector material: Identifying deep centers from first principles

Chen,

Rignanese,

Liu

et al. 2024

Journal of Applied Physics

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“…If the number of studies of semiconductor tellurides of metals carried out in recent years is very significant [1][2][3][4], the work on the physicochemical study of aluminum chalcogenides, in retrospect of seventy years, almost none, and most of the few associated with the aluminum -telluride system.…”

Section: Introductionmentioning

confidence: 99%

Thermodynamics of Formation and Evaporation of Aluminum and Aluminum Telluride Melts

Burabayeva¹,

Volodin²,

Trebukhov³

et al. 2022

Proceedings of the 8th World Congress on Mechanical, Chemical, and Material Engineering

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Based on the values of aluminum telluride vapor pressure determined by the boiling point method and aluminum found by integration, the partial and integral thermodynamic functions of formation and evaporation of the aluminum-telluride system melts have been calculated. The vapor pressure of aluminum telluride () above the melting point has been determined for the first time. Integral functions of alloys mixing have a maximum (entropy -5.23±0.31 J/(mol-K), enthalpy -4.17±0.24 kJ/mol) at monotectic corresponding to 42 -44 at. % Te in the melt. The formation of alloys is accompanied by an increase in disorder in the system and goes with heat absorption. Integral functions of evaporation monotonically decrease from aluminum to telluride, and the entropy of evaporation Al 2 Te 3 (60.71±3.37 J/(mol×K)) indirectly confirms the congruent nature of aluminum telluride evaporation. The state diagram is supplemented with the fields of melt and vapor co-consistency at atmospheric pressure and in a vacuum of 6.67 kPa, which testify to the possibility of distillation separation of the Al -Al 2 Te 3 system.

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Doping engineering in the CdTe thin film solar cells

Duan,

Wang,

Yan

2024

cMat

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Cadmium telluride (CdTe) thin film solar cells have gained significant attention in the photovoltaic industry due to their high efficiency and low cost. CdTe solar cells have achieved a high‐power conversion efficiency of 23.1%. To further boost the device's performance, it is crucial to systematically tune the doping concentration and carrier concentration, which are dominated by the doping approach and the following dopant activation processes. Both Group I elements (e.g., Cu) and Group V elements (e.g., As) doping have demonstrated high efficiency and utilizing various doping techniques. This review provides an overview of the history of the CdTe thin film technology, doping mechanisms, doping techniques, challenges, and potential solutions to further improve device performance.

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Symmetry and thermodynamics of tellurium vacancies in cadmium telluride

Cited by 5 publications

References 43 publications

Native point defects in HgCdTe infrared detector material: Identifying deep centers from first principles

Native point defects in HgCdTe infrared detector material: Identifying deep centers from first principles

Thermodynamics of Formation and Evaporation of Aluminum and Aluminum Telluride Melts

Doping engineering in the CdTe thin film solar cells

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