Potential of ZrO2 and HfO2 materials for nonlinear optical applications: First-principles study and experimental challenges

Ali El Boutaybi; Thomas Maroutian; Sylvia Matzen; Laurent Vivien; Panaghiotis Karamanis; Michel Rérat; Philippe Lecoeur

doi:10.1117/12.2663074

16 March 2023 Potential of ZrO₂ and HfO₂ materials for nonlinear optical applications: first-principle study and experimental challenges

Ali El Boutaybi, Thomas Maroutian, Sylvia Matzen, Laurent Vivien, Panaghiotis Karamanis, Michel Rérat, Philippe Lecoeur

Author Affiliations +

Proceedings Volume 12422, Oxide-based Materials and Devices XIV; 124220U (2023) https://doi.org/10.1117/12.2663074
Event: SPIE OPTO, 2023, San Francisco, California, United States

Abstract

The discovery of ferroelectricity in Hafnia (HfO₂) and Zirconia (ZrO₂) in 2011 raises the question of using these materials in photonic applications due to their compatibility with silicon. In this study, we used first-principles calculations to investigate and report on the electro-optic properties of the ferroelectric orthorhombic Pbc2₁ and rhombohedral R3m phases of ZrO₂ and HfO₂. We considered three main contributions to the Pockels effect: electronic, ionic, and piezoelectric. The highest Pockels coefficient of approximately 12 pm/V was found in pure ZrO₂. We discuss the potential ways to increase the electro-optic response of ZrO₂/HfO₂-based materials and the experimental challenges of stabilizing the ferroelectric phase in these materials.

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Ali El Boutaybi, Thomas Maroutian, Sylvia Matzen, Laurent Vivien, Panaghiotis Karamanis, Michel Rérat, and Philippe Lecoeur "Potential of ZrO₂ and HfO₂ materials for nonlinear optical applications: first-principle study and experimental challenges", Proc. SPIE 12422, Oxide-based Materials and Devices XIV, 124220U (16 March 2023); https://doi.org/10.1117/12.2663074

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