Reply to “Comment on ‘Thermal expansion and phase stability of (, Y, La, Al, Ga, In) from first principles’ ”
Phys. Rev. B 112, 226102 – Published 12 December, 2025
DOI: https://doi.org/10.1103/njgh-v8dh
Abstract
We calculate the renewed phonon bands and mode-Grüneisen parameters for the phases of (, Y, La, Al, Ga, In) including the nonanalytical term correction, as well as the mode-Grüneisen parameters for the phase of under hydrostatic pressure derived from the six different types of strains, all of which are based on the comments by Dove and Phillips [Phys. Rev. B (2025)]. As a result, we show that there is no significant change in the discussion given in our original publication [Phys. Rev. B 110, 064104 (2024)]. However, we acknowledge that the disappearance of the negative thermal expansion (NTE) behavior in the phase of cannot be solely explained by the less negative Grüneisen parameters of the phase of . We denote that we did not claim that the NTE behavior of is not well understood, and the most important point of our original paper is that we have explained the dynamical stability of the cubic by the group theoretical analyses of the electronic and phonon band structures.