Optica Open
arXiv.svg (5.58 kB)

Electro-optic properties of ZrO2, HfO2 and LiNbO3 ferroelectric phases: A comprehensive and comparative study with density functional theory

Download (5.58 kB)
posted on 2023-01-10, 02:52 authored by Ali El Boutaybi, Panagiotis Karamanis, Thomas Maroutian, Sylvia Matzen, Laurent Vivien, Philippe Lecoeur, Michel Rérat
We report the Pockels electro-optic properties of ZrO2 and HfO2 orthorhombic Pbc21 and rhombohedral R3m ferroelectric phases, and we compare them to the well-known LiNbO3 Pockels material from density functional theory calculations using the CRYSTAL suite of programs. Specifically, three essential processes are explicitly investigated: The electronic, the ionic (or vibrational), and the piezoelectric contributions. Our calculations reveal that the ionic part coming from the low frequency phonon modes contributes the most to the electro-optic coefficients of rhombohedral LiNbO3 and of orthorhombic ZrO2 and HfO2. While these low-frequency modes show zero contribution to Pockels coefficients for the rhombohedral phase of the latter compounds.



This arXiv metadata record was not reviewed or approved by, nor does it necessarily express or reflect the policies or opinions of, arXiv.

Usage metrics