11:00 AM - 11:15 AM
[18a-Z20-5] Breakdown of ion-polarization-correspondence and Born effective charges: Algebraic formulas of accurate polarization under field
Keywords:ferroelectric, Polarization, depolarization field
We propose a correction that calculates both macroscopic and unit-cell-by-unit-cell total polarization accurately.
Watanabe, Phys. Rev. Mater. 4, 104405 (2020)
Watanabe, Phys. Rev. Mater. 4, 104405 (2020)