Effects of mosaic structure on the physical properties of CdZnTe crystals

Zeng, Dongmei; Wang, Jie; Wang, Tao; Zha, Gangqiang; Zhang, Jijun

doi:10.1016/j.nima.2007.12.033

Cited by 18 publications

(18 citation statements)

References 20 publications

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“…1 The nonuniformity properties have been attributed to such defects as Te particles 5,6 and dislocation networks. 1,[7][8][9][10][11] Previous efforts to improve the materials have focused on reducing Te particles, but little work has focused on dislocation network structures. Cd 1−x Zn x Te crystals are also important semiconductor materials for photovoltaic applications.…”

Section: Introductionmentioning

confidence: 99%

Analytical bond-order potential for the Cd-Zn-Te ternary system

et al. 2012

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Cd-Zn-Te ternary alloyed semiconductor compounds are key materials in radiation detection and photovoltaic applications. Currently, crystalline defects such as dislocations limit the performance of these materials. Atomistic simulations are a powerful method for exploring crystalline defects at a resolution unattainable by experimental techniques. To enable accurate atomistic simulations of defects in the Cd-Zn-Te systems, we develop a full Cd-Zn-Te ternary bond-order potential. This Cd-Zn-Te potential has numerous unique advantages over other potential formulations: (1) It is analytically derived from quantum mechanical theories and is therefore more likely to be transferable to environments that are not explicitly tested. (2) A variety of elemental and compound configurations (with coordination varying from 1 to 12) including small clusters, bulk lattices, defects, and surfaces are explicitly considered during parameterization. As a result, the potential captures structural and property trends close to those seen in experiments and quantum mechanical calculations and provides a good description of melting temperature, defect characteristics, and surface reconstructions. (3) Most importantly, this potential is validated to correctly predict the crystalline growth of the ground-state structures for Cd, Zn, Te elements as well as CdTe, ZnTe, and Cd 1−x Zn x Te compounds during highly challenging molecular dynamics vapor deposition simulations.

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Section: Introductionmentioning

confidence: 99%

Analytical bond-order potential for the Cd-Zn-Te ternary system

et al. 2012

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“…CdTe-based Cd 1Àx Zn x Te (CZT) alloys are currently the leading semiconductors for -ray detection, but their application is limited by low manufacturing yield (and, therefore, high cost) of detector-grade materials. The under achievement of CdTe solar cells and CZT detectors can both be attributed to charge-trapping defects formed during CdTe growth [4][5][6].Direct molecular dynamics (MD) simulations provide a fundamental understanding of the CdTe growth dynamics and defect formation. However, such simulations are extremely challenging because they sample a large number of metastable configurations not known a priori.…”

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confidence: 99%

Melt-Growth Dynamics in CdTe Crystals

et al. 2012

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We use a new, quantum-mechanics-based bond-order potential (BOP) to reveal melt growth dynamics and fine scale defect formation mechanisms in CdTe crystals. Previous molecular dynamics simulations of semiconductors have shown qualitatively incorrect behavior due to the lack of an interatomic potential capable of predicting both crystalline growth and property trends of many transitional structures encountered during the melt→crystal transformation. Here, we demonstrate successful molecular dynamics simulations of melt growth in CdTe using a BOP that significantly improves over other potentials on property trends of different phases. Our simulations result in a detailed understanding of defect formation during the melt growth process. Equally important, we show that the new BOP enables defect formation mechanisms to be studied at a scale level comparable to empirical molecular dynamics simulation methods with a fidelity level approaching quantum-mechanical methods.

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“…Although several studies have shown the residual stress of (111) Cd 0 96 Zn 0 04 Te single crystals [10] and dislocation after mechanical polishing and chemical etching [11], these studies have not related to the nanomechanical properties of CdZnTe crystal. Because CdZnTe crystal has the zincblende structure, which shows extremely mechanical anisotropy, while the mechanical anisotropy is especially influential on the orientation-dependent results obtained when machining of CdZnTe wafers, but the effects of mechanical anisotropy on machining of CdZnTe wafers have not been reported.…”

Section: Introductionmentioning

confidence: 99%

Effect of Mechanical Anisotropy on Grinding of CdZnTe Wafers

Li¹,

Kang²,

Gao³

et al. 2010

Materials and Manufacturing Processes

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In this study, nanoindentation and nanoscratching were employed to research on the mechanical anisotropy of CdZnTe (110) and (111) planes, and their effects on the grinding of CdZnTe wafers were studied. The results suggest that the primary slip system is responsible for the anisotropy of hardness and frictional coefficient. It is easy to slip along 110 directions on (110) plane and 112 directions on (111) plane during scratching, hence the frictional coefficient is the lowest compared to that of other directions, and high surface quality could be obtained during grinding along these directions. The problem of embedded abrasives, which is due to the soft nature of CdZnTe crystal, could be solved when using the grinding process instead of the lapping process.

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Effects of mosaic structure on the physical properties of CdZnTe crystals

Cited by 18 publications

References 20 publications

Analytical bond-order potential for the Cd-Zn-Te ternary system

Analytical bond-order potential for the Cd-Zn-Te ternary system

Melt-Growth Dynamics in CdTe Crystals

Effect of Mechanical Anisotropy on Grinding of CdZnTe Wafers

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