Optical properties of BaTiO 3 at room temperature: DFT modelling

RSC Advances, 2025

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DOI 10.1039/d4ra06938b
Data confidence 85 high
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Abstract

The optical properties of the tetragonal phase of BaTiO 3 have been studied using density functional methods, applying the generalized gradient approximation at room temperature and a hybrid functional for static lattice analysis.