“…To probe the dielectric response of SrHfN 2 and SrZrN 2 , we carried out DFT calculations to obtain the Born effective charge tensors and macroscopic dielectric tensors based on DFPT. DFPT dielectric calculations have been successfully applied in many materials and were validated in some cases, including in ZrO 2 and CaTiO 3 systems, ,, and here further verified by the oxide counterparts SrZrO 3 and SrHfO 3 of SrZrN 2 and SrHfN 2 , respectively, which reproduced their experimentally measured dielectric permittivities [e.g., 21–35 for SrHfO 3 − and SrZrO 3 , vs their calculated values of 46 and 50, respectively (details listed in Table S3)].…”