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    Orbital-driven topological phase transition and planar Hall response in ternary telluride Weyl semimetals

    Banasree Sadhukhan1,* and Tanay Nag2,†

    • *Contact author: banasree.sadhukhan@mahindrauniversity.edu.in
    • †Contact author: tanay.nag@hyderabad.bits-pilani.ac.in

    Phys. Rev. B 113, 155130 – Published 14 April, 2026

    DOI: https://doi.org/10.1103/rkr4-p5n4

    Abstract

    We study electronic properties of the ternary tellurides TaXTe4 (X = Rh, Ir) using density functional theory and investigate chiral anomaly mediated planar Hall response from ab initio calculations. We show that TaRhTe4 is a hybrid Weyl semimetal (WSM), hosting Weyl points (WPs) of both type-I, type-II, and TaIrTe4 is a type-I WSM in absence of spin-orbit coupling (SOC). TaRhTe4 continues to remain a hybrid WSM while TaIrTe4 converts into a type-II WSM under the application of SOC. We observe long Fermi arcs connecting WPs of opposite chirality. We report orbital-driven topological phase transition in ternary tellurides. The WSM phases in TaXTe4 are controlled by the orbital character of the dxz and dz2 states of X = Ir/Rh atoms. Replacing Rh with Ir enhances the dz2 orbital contribution near the Fermi level at the expense of dxz states. This transforms the type-I WPs into type-II resulting in a conversion of hybrid WSM TaRhTe4 to type-II WSM TaIrTe4. This systematic study opens new routes for engineering topological materials relying beyond strong SOC and sheds light on the effect of orbital degree of freedom on the electronic properties of tellurides. We further report an enhancement of planar Hall effects due to orbital-driven topological phase transition in TaXTe4 and we resort to a tight-binding model to correlate the above findings with the velocity modulated off-diagonal effective mass anisotropy in different types of WSMs.

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