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    Reply to “Comment on ‘Theoretical insights into monovalent-metal-cation transmutation effects on lead-free halide double perovskites for optoelectronic applications' ”

    Surajit Adhikari* and Priya Johari†

    • Department of Physics, School of Natural Sciences, Shiv Nadar Institution of Eminence, Greater Noida, Gautam Buddha Nagar, Uttar Pradesh 201314, India

    • *Contact author: sa731@snu.edu.in
    • †Contact author: priya.johari@snu.edu.in

    Phys. Rev. Materials 10, 058402 – Published 19 May, 2026

    DOI: https://doi.org/10.1103/h39d-4wnm

    Abstract

    We respond to the Comment by Xiao et al. on our work [Phys. Rev. Mater. 7, 075401 (2023)], which questions the thermodynamic stability analysis of Cs2MSbX6 halide double perovskites. The Comment argues that the stability assessment is affected by the choice of decomposition pathways and by the structural models used for CsX compounds. Here we clarify that our original work evaluated thermodynamic stability through decomposition enthalpies with respect to experimentally motivated competing phases rather than formation energies relative to elemental references. We further discuss the role of alternative decomposition pathways, metastability, and experimental synthesis conditions in determining the realizability of halide double perovskites. We show that while the additional pathways considered in the Comment provide useful complementary insight, they do not invalidate the thermodynamic framework or the principal conclusions of our original study.

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    Original Article

    Theoretical insights into monovalent-metal-cation transmutation effects on lead-free halide double perovskites for optoelectronic applications

    Surajit Adhikari and Priya Johari
    Phys. Rev. Materials 7, 075401 (2023)

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