Optimizing ACRT to reduce inclusion formation during the VGF growth of cadmium zinc telluride: I. Computational approach

Mia S. Divecha; Jeffrey J. Derby

doi:10.1016/j.jcrysgro.2021.126386

Optimizing ACRT to reduce inclusion formation during the VGF growth of cadmium zinc telluride: I. Computational approach

Mia S. Divecha, Jeffrey J. Derby

Chemical Engineering and Materials Science

Research output: Contribution to journal › Article › peer-review

1 Scopus citations

Abstract

Theoretical computations reveal insight into parameters that govern the accelerated crucible rotation technique (ACRT) applied to the gradient freeze (VGF) growth of cadmium zinc telluride (CZT). A metric based on the classic Mullins and Sekerka instability criterion is put forth that provides a quantitative means of assessing the impact of different ACRT rotation schedules on morphological stability and inclusion formation during CZT growth. This metric is employed in a 2-k factorial design of experiments that identifies the maximum rotation rate as the most important ACRT parameter, followed by the acceleration period and the rest period. Subsequent optimization of rotation schedule is performed for a specific VGF growth system, and mechanistic explanations are provided for the preferred ACRT schedule, which improves interface stability via slower rotation rates and longer acceleration periods than would be applied using classical ACRT schedules.

Original language	English (US)
Article number	126386
Journal	Journal of Crystal Growth
Volume	576
DOIs	https://doi.org/10.1016/j.jcrysgro.2021.126386
State	Published - Dec 15 2021

Bibliographical note

Funding Information:
This research was supported in part by the U.S. Department of Energy, NNSA Prime Award DE-NA0002565, and Washington State University Subaward 118717-G003369; no official endorsement should be inferred. The authors would like to thank our collaborators from Washington State University, including J. McCoy, S. Swain, and S. Kakkireini, whose experiments efforts motivated this research, and A. Yeckel, who developed and provided support for the Cats2D code at the University of Minnesota. We dedicate this paper to the memory of Prof. Kelvin G. Lynn, who was the principal investigator for the DOE award that funded this research and who passed away in January 2020.

Publisher Copyright:
© 2021 Elsevier B.V.

Keywords

A1. Computer simulation
A1. Fluid flows
A1. Morphological stability
A2. Accelerated crucible rotation technique
A2. Gradient freeze technique
B2. Semiconducting II-VI materials

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10.1016/j.jcrysgro.2021.126386

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title = "Optimizing ACRT to reduce inclusion formation during the VGF growth of cadmium zinc telluride: I. Computational approach",

abstract = "Theoretical computations reveal insight into parameters that govern the accelerated crucible rotation technique (ACRT) applied to the gradient freeze (VGF) growth of cadmium zinc telluride (CZT). A metric based on the classic Mullins and Sekerka instability criterion is put forth that provides a quantitative means of assessing the impact of different ACRT rotation schedules on morphological stability and inclusion formation during CZT growth. This metric is employed in a 2-k factorial design of experiments that identifies the maximum rotation rate as the most important ACRT parameter, followed by the acceleration period and the rest period. Subsequent optimization of rotation schedule is performed for a specific VGF growth system, and mechanistic explanations are provided for the preferred ACRT schedule, which improves interface stability via slower rotation rates and longer acceleration periods than would be applied using classical ACRT schedules.",

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note = "Funding Information: This research was supported in part by the U.S. Department of Energy, NNSA Prime Award DE-NA0002565, and Washington State University Subaward 118717-G003369; no official endorsement should be inferred. The authors would like to thank our collaborators from Washington State University, including J. McCoy, S. Swain, and S. Kakkireini, whose experiments efforts motivated this research, and A. Yeckel, who developed and provided support for the Cats2D code at the University of Minnesota. We dedicate this paper to the memory of Prof. Kelvin G. Lynn, who was the principal investigator for the DOE award that funded this research and who passed away in January 2020. Publisher Copyright: {\textcopyright} 2021 Elsevier B.V.",

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doi = "10.1016/j.jcrysgro.2021.126386",

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PY - 2021/12/15

Y1 - 2021/12/15

N2 - Theoretical computations reveal insight into parameters that govern the accelerated crucible rotation technique (ACRT) applied to the gradient freeze (VGF) growth of cadmium zinc telluride (CZT). A metric based on the classic Mullins and Sekerka instability criterion is put forth that provides a quantitative means of assessing the impact of different ACRT rotation schedules on morphological stability and inclusion formation during CZT growth. This metric is employed in a 2-k factorial design of experiments that identifies the maximum rotation rate as the most important ACRT parameter, followed by the acceleration period and the rest period. Subsequent optimization of rotation schedule is performed for a specific VGF growth system, and mechanistic explanations are provided for the preferred ACRT schedule, which improves interface stability via slower rotation rates and longer acceleration periods than would be applied using classical ACRT schedules.

AB - Theoretical computations reveal insight into parameters that govern the accelerated crucible rotation technique (ACRT) applied to the gradient freeze (VGF) growth of cadmium zinc telluride (CZT). A metric based on the classic Mullins and Sekerka instability criterion is put forth that provides a quantitative means of assessing the impact of different ACRT rotation schedules on morphological stability and inclusion formation during CZT growth. This metric is employed in a 2-k factorial design of experiments that identifies the maximum rotation rate as the most important ACRT parameter, followed by the acceleration period and the rest period. Subsequent optimization of rotation schedule is performed for a specific VGF growth system, and mechanistic explanations are provided for the preferred ACRT schedule, which improves interface stability via slower rotation rates and longer acceleration periods than would be applied using classical ACRT schedules.

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Optimizing ACRT to reduce inclusion formation during the VGF growth of cadmium zinc telluride: I. Computational approach

Abstract

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