Electro-optic properties of ZrO 2 , HfO 2 and LiNbO 3 ferroelectric phases: A comprehensive and comparative study with density functional theory - Université de Pau et des Pays de l'Adour 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⟩
35 Consultations
155 Téléchargements

Partager

Gmail Mastodon Facebook X LinkedIn More