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Hardening of multi-component CdZnTeSe solid solutions: a theoretical approach

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Abstract

A new theoretical approach for describing the formation of multi-component solid solutions as a mixture of their binary components is proposed. The excess Gibbs energy of formation of such solid solutions is calculated for Cd1−xZnxTe1−ySey compounds with an arbitrary concentration of the elements. There is a new thermodynamic effect of a decrease in the excess Gibbs energy in solid solutions that contain mixed binary components formed during simultaneous doping of the cationic and anionic subsystems. The excess Gibbs energy of formation of the quaternary CdZnTeSe solid solution (at additional doping with selenium) in comparison to the ternary CdZnTe compounds can reach a value of some hundreds of J/mol, which considerably exceeds the standard entropy of formation of pure binary components for the given solution. Such an effect is connected with the emergence of strong covalent bonds in the mixture of binary components of the quaternary solid solution. This may explain the hardening effect, i.e., a considerable decrease in the number of extended defects observed during the growth of CdZnTeSe crystals. The proposed theory makes it possible to quantitively predict changes in the expected defect quality of the crystals with variations in the composition of the solid solutions.

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Authors and Affiliations

  1. Institute for Single Crystals of National Academy of Sciences of Ukraine, 60 Nauky Avenue, Kharkiv, 61072, Ukraine

    S. V. Naydenov & I. M. Pritula

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  1. S. V. Naydenov
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All authors contributed to the study and analysis. The original draft of the manuscript was written by Dr. Sergei Naydenov, and all the authors have read and approved the final manuscript.

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Naydenov, S.V., Pritula, I.M. Hardening of multi-component CdZnTeSe solid solutions: a theoretical approach. Appl. Phys. A 129, 812 (2023). https://doi.org/10.1007/s00339-023-07109-8

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