[18a-Z20-1~8] 6.1 Ferroelectric thin films

[18a-Z20-5] Breakdown of ion-polarization-correspondence and Born effective charges: Algebraic formulas of accurate polarization under field

〇Yukio Watanabe¹ (1.Kyushu Univ.)

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)