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    Orientation-dependent strain tuning of magnetic compensation and anisotropy in Gd3Fe5O12 thin films: A first-principles study

    Temuujin Bayaraa1,2,*, Changsong Xu3, Sinéad M. Griffin1,2, and Laurent Bellaiche4,5

    • *Contact author: tbayaraa@lbl.gov

    Phys. Rev. B 113, 094418 – Published 10 March, 2026

    DOI: https://doi.org/10.1103/mb5n-fvhv

    Abstract

    The interplay between epitaxial strain, magnetic compensation, Curie temperature, and anisotropy in ferrimagnetic insulators remains a central question with both fundamental and technological significance. Here, we present a comparative theoretical study of strain effects on Gd3Fe5O12 (GIG) thin films grown along [001] and [111] orientations. Using density functional theory and an ab initio-based effective Hamiltonian, we study the evolution of the magnetic compensation temperature (TM), Curie temperature (TC), and perpendicular magnetic anisotropy (PMA) under epitaxial strain. Our results show a linear enhancement of both TM and TC under compressive strain, with (001)-oriented films exhibiting a notably higher strain sensitivity than (111)-oriented counterparts. PMA was also found to have a nearly linear strain dependence with a strong orientation dependence, and to reverse when Gd 4f electrons were treated as core states—hinting at a possible strong temperature dependence of PMA. Our results offer clarity to experimental variability in TM and provide a microscopic basis for tailoring magnetic compensation, Curie temperature and anisotropy in rare-earth-based spintronics.

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