• Corpus ID: 252531944

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

  title={Electro-optic properties of ZrO2, HfO2 and LiNbO3 ferroelectric phases: A comprehensive and comparative study with density functional theory},
  author={Ali El Boutaybi and Panagiotis Karamanis and Thomas Maroutian and Sylvia Matzen and Laurent Vivien and Philippe Lecoeur and Michel R'erat},
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 low-frequency… 



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