Computational details, Fig. S1-S5, Table S1
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posted on 2025-01-13, 05:01 authored by Biao Ma, Shouxin Cui, Bao Zhao, Jun Li, Xiao-Chun WangComputational details; analysis of dynamical and thermal stability; the influence of spin-orbit coupling on the band structure; the band structure of PdTeO at the PBE level; piezoelectric coefficients considering layer thickness, and the electronic and ionic contributions to d33
