Pulse power devices urgently need lead-free compositions with stable antiferroelectric phase and transition field. Following the guidance of the DFT (Density Functional Theory) calculation, a novel antiferroelectric composition (1-x)NaNbO₃-xBi_2/3HfO₃(0≤ x ≤0.08), was designed and prepared, exhibiting well-documented double AFE loops both in macro and nanoscale. Furthermore, Bi_2/3HfO₃ modified compositions also exhibit a high stored energy density of 4.26 J/cm³, forward switching field of 225 kV/cm, large discharge current of 36 A, within 25 ns discharge time and high power density of 32 MW/cm³, which is superior to other NaNbO₃-based compositions reported in antiferroelectric range. Structural analysis shows that the high temperature phases of P and R can be rapidly shifted to room temperature by adding Bi_2/3HfO₃. Combining results from the PFM and TEM, the modified compositions had a faster domain switching speed to the electric field. In addition, theoretical calculations demonstrated that modified compositions have a predictable increasing energy difference -7.48 meV/f.u. between AFE(antiferroelectric) and FE(ferroelectric) phase.

脉冲功率器件迫切需要具有稳定反铁电相和过渡场的无铅成分。在DFT（密度泛函理论）计算的指导下，设计并制备了一种新型反铁电组合物(1- x )NaNbO ₃ - x Bi _2/3 HfO ₃ (0≤ x ≤0.08)，表现出良好的双AFE 在宏观和纳米尺度上循环。此外，Bi _2/3 HfO _{3改性组合物还表现出4.26 J/cm} ³的高储能密度、225 kV/cm的正向开关场、36 A的大放电电流、25 ns的放电时间和高功率密度。 32 兆瓦/厘米³，这优于在反铁电范围内报道的其他基于NaNbO _{3的组合物。结构分析表明，通过添加Bi 2/3} HfO ₃，P和R的高温相可以快速转移到室温。结合 PFM 和 TEM 的结果，改性组合物具有更快的电场转换速度。此外，理论计算表明，改性组合物在 AFE（反铁电）相和 FE（铁电）相之间具有可预测的增加能量差 -7.48 meV/fu。