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    ErAl:Al2O3 for telecom-band photonics: Electronic structure and optical properties

    Mahtab A. Khan1,2, Jayden D. Craft1, Maida Noor2, Hari P. Paudel3, Yuhua Duan3, Dirk R. Englund4, and Michael N. Leuenberger1,5,*

    • *Contact author: michael.leuenberger@ucf.edu

    Phys. Rev. Materials 10, 046201 – Published 24 April, 2026

    DOI: https://doi.org/10.1103/r398-zg2n

    Abstract

    Er-doped Al2O3 is a promising host for telecom-band integrated photonics. Here we combine ab initio calculations with a symmetry-resolved analysis to elucidate substitutional Er on the Al site (ErAl) in α−Al2O3. First-principles relaxations confirm the structural stability of ErAl. We then use the local trigonal crystal-field symmetry to classify the Er-derived impurity levels by irreducible representations and to derive polarization-resolved electric-dipole selection rules, explicitly identifying the symmetry-allowed f−d hybridization channels. Kubo-Greenwood absorption spectra computed from Kohn-Sham states quantitatively corroborate these symmetry predictions. Furthermore, we connect the calculated intra-4f line strengths to Judd-Ofelt theory, clarifying the role of 4f−5d admixture in enabling optical activity. Notably, we predict a characteristic absorption near 1.47 µm (telecom band), relevant for on-chip amplification and emission. To our knowledge, a symmetry-resolved first-principles treatment of Er:Al2O3 with an explicit Judd-Ofelt interpretation has not been reported, providing a transferable framework for tailoring rare-earth dopants in wide-band-gap oxides for integrated photonics. Our results for the optical spectra are in good agreement with experimental data. The resulting symmetry-based selection rules translate directly to polarization-dependent coupling in Al2O3 integrated photonic waveguides and resonators, enabling device-level design of TE/TM-mode interaction with Er emitters in the 1.5-µm telecom band.

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