Electro-optic properties of ZrO 2 , HfO 2 and LiNbO 3 ferroelectric phases: A comprehensive and comparative study with density functional theory - Archive ouverte HAL Accéder directement au contenu
Pré-Publication, Document De Travail Année : 2022

Electro-optic properties of ZrO 2 , HfO 2 and LiNbO 3 ferroelectric phases: A comprehensive and comparative study with density functional theory

Résumé

We report the Pockels electro-optic properties of ZrO 2 and HfO 2 orthorhombic Pbc2 1 and rhombohedral R3m ferroelectric phases, and we compare them to the well-known LiNbO 3 Pockels material from density functional theory calculations using the CRYSTAL suite of program. 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 lowfrequency phonon modes contributes the most to the electro-optic coefficients of rhombohedral LiNbO 3 and of orthorhombic ZrO 2 and HfO 2. While these low-frequency modes show zero contribution to Pockels coefficients for the rhombohedral phase of the latter compounds.
Fichier principal
Vignette du fichier
2209.12536.pdf (427.17 Ko) Télécharger le fichier
Origine : Fichiers produits par l'(les) auteur(s)

Dates et versions

hal-03864160 , version 1 (21-11-2022)

Identifiants

  • HAL Id : hal-03864160 , version 1

Citer

Ali El Boutaybi, Panaghiotis Karamanis, T Maroutian, Sylvia Matzen, Laurent Vivien, et al.. Electro-optic properties of ZrO 2 , HfO 2 and LiNbO 3 ferroelectric phases: A comprehensive and comparative study with density functional theory. 2022. ⟨hal-03864160⟩
25 Consultations
118 Téléchargements

Partager

Gmail Facebook X LinkedIn More