Composition-Dependent Phonon and Thermodynamic Characteristics of C-Based X_xY_1−xC (X, Y ≡ Si, Ge, Sn) Alloys

Round 1

Reviewer 1 Report

In this manuscript, the phonon and thermodynamical characteristics of zinc-blende group-IV binary and ternary alloys are calculated. For binaries, the phonon dispersions offered positive values of acoustic modes in the entire BZ, implying the structural stability. However, for ternaries, declared by the author, are not suitable as fuel cladding layers in nuclear reactors and high-temperature applications. In my opinion, the paper is good and valuable. The results are helpful for the peers.

My main concern is that the manuscript needs to add more data or discussion to confirm that the theoretical model and applied initial parameters are correct. It is recommended to add calculating a basic structure and comparing with experimental results, so that to confirm the correction of the theoretical model and initial parameters.

Author Response

Reply to Referee #1

• Thanks for reading my paper and providing your feedback. I am happy to read that in your opinion, the paper is good and valuable. The results are helpful for the peers.
• I have reported a comprehensive calculations of phonon properties of both binary and ternary alloys. Basic structure calculations of the materials are already reported in the literature (pl. see the references in my manuscript.  I hope you agree with my response.  Thanks

Devki N. Talwar

Reviewer 2 Report

In this manuscript, the authors use a rigid-ion-model to calculate the properties of different carbides such as SiC, GeC, and SnC as well as their alloys. While calculations of these thermodynamic properties are generally viewed as inferior to experimental measurements, calculations can be informative, particularly if experimental measurements are unavailable or challenging. The authors validate their calculations on SiC, and their calculations are in good agreement with experimental results, and thus this reviewer is satisfied with the accuracy of the model. Further, the work on the alloys is also reasonable, and this reviewer has no scientific concerns with the work, and while these results should have little impact, these calculations may prove useful to the community.

English is mostly fine, but the use of the word thermodynamical is odd. Thermodynamic would suffice, e.g. thermodynamic characteristics, thermodynamic properties, thermodynamic traits. Additionally, it is sometimes stylized as thermo-dynamical, and no hyphen is needed. I would also avoid the element symbols when the word can be used, e.g. silicon instead of Si. For example, change the introductory paragraph to read, "With truly monolithic optoelectronic functionality, silicon has offered substantial cost benefits as well as long-term performance gains in the optoelectronic microsensor systems and photovoltaic cells."

Author Response

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Reply to Referee #2

Thanks for reading my paper and providing your feedback. I am happy to read that in your opinion, the paper is good and valuable. I am happy to read that while calculations of these thermodynamic properties are generally viewed as inferior to experimental measurements, calculations can be informative, particularly if experimental measurements are unavailable or challenging. The author validated the calculations on SiC, and the calculations are in good agreement with experimental results, and thus this reviewer is satisfied with the accuracy of the model. Further, the work on the alloys is also reasonable, and this reviewer has no scientific concerns with the work, and while these results should have little impact, these calculations may prove useful to the community. Agreeing with the reviewer I have changed thermodynamical to thermodynamic throughout the manuscript.