Band Gap Engineering and Trap Depths of Intrinsic Point Defects in RAlO₃ (R = Y, La, Gd, Yb, Lu) Perovskites.

ABSTRACT: The possibility of band gap engineering (BGE) in RAlO₃ (R = Y, La, Gd, Yb, Lu) perovskites in the context of trap depths of intrinsic point defects was investigated comprehensively using experimental and theoretical approaches. The optical band gap of the materials, E _g, was determined via both the absorption measurements in the VUV spectral range and the spectra of recombination luminescence excitation by synchrotron radiation. The experimentally observed effect of E _g reduction from ∼8.5 to ∼5.5 eV in RAlO₃ perovskites with increasing R³⁺ ionic radius was confirmed by the DFT electronic structure calculations performed for RM^IIIO₃ crystals (R = Lu, Y, La; M^III = Al, Ga, In). The possibil

SUBMITTER: Zhydachevskyy Y 

PROVIDER: S-EPMC8672454 | biostudies-literature | 2021 Dec

REPOSITORIES: biostudies-literature