Export citation

Export citation

Choose format for download:

Download Citation

    Metastable polar order and phase competition in Carpy-Galy LaTaO4

    Yongjin Shin*

    • Department of Semiconductor Convergence Engineering, Dankook University, Yongin-si 16890, Gyeonggi-do, South Korea

    • *Contact author: yongjin.shin@dankook.ac.kr

    Phys. Rev. Materials 10, 104423 – Published 27 October, 2026

    DOI: https://doi.org/10.1103/q5bn-lhw6

    Abstract

    Carpy-Galy LaTaO4 undergoes a structural sequence linking the antipolar monoclinic P21/c ground state and the polar orthorhombic Cmc21 phase through an incommensurately modulated regime. First-principles calculations identify a metastable polar monoclinic P21 phase as a commensurate intermediate in the phase-transition landscape. As a common subgroup of P21/c and Cmc21, P21 provides a symmetry-connected route between the established polymorphs. Mode-resolved energy surfaces for these symmetry-breaking pathways show that coupling between the respective primary order parameters and an isosymmetric relaxation stabilizes the P21 minimum along both pathways. Consequently, the P21/c→P21 transformation has a finite energy barrier, while a restricted soft-mode model retains competing P21 and Cmc21 basins over an illustrative range of harmonic stiffness. Lattice-metric and neutron-diffraction comparisons indicate a shared displacement character between the calculated commensurate state and the experimental incommensurately modulated orthorhombic (IC-o) modulation, supporting the use of P21 as a commensurate structural reference for IC-o. Finally, composition-dependent energetics suggest chemical routes for tuning polar-antipolar competition.

    Physics Subject Headings (PhySH)

    Authorization Required

    We need you to provide your credentials before accessing this content.

    Supplemental Material (Subscription Required)

    References (Subscription Required)

    Outline

    Information

    Sign In to Your Journals Account

    Filter

    Filter

    Article Lookup

    Enter a citation