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    Large Berry curvature dipole and enhanced nonlinear Hall effects in monolayer W0.5Mo0.5Te2

    Bhupendra Sharma1,*, Madhav Prasad Ghimire2,3,*,†, Deergh Bahadur Shahi2, Dipak Bhattarai2, Yan Sun4, Jhih-Shih You5, Jeroen van den Brink3, and Sobhit Singh1,6,‡

    • *These authors contributed equally to this work.
    • †Contact author: madhav.ghimire@cdp.tu.edu.np
    • ‡Contact author: s.singh@rochester.edu

    Phys. Rev. B 112, 235433 – Published 24 December, 2025

    DOI: https://doi.org/10.1103/99gy-krxw

    Abstract

    WTe2 and MoTe2 monolayers offer a rich platform for exploring topological quantum phenomena, including electrically switchable circular photogalvanic effects, rectification, and nonlinear Hall effects (NLHE). In time-reversal symmetric systems, a nonzero Berry curvature dipole (BCD) is essential for realizing NLHE, and such a BCD-induced NLHE has been observed in pristine WTe2 and MoTe2 monolayers. However, the intrinsic BCD in these materials is quite small—on the order of 0.01 Å—posing significant challenges for experimental detection and practical implementation of nonlinear Hall phenomena for technological applications. In this work, we theoretically design a monolayer Td−W0.5Mo0.5Te2 (i.e., WMoTe4) by chemically substituting elements in the parent WTe2 and MoTe2 monolayers. Our first-principles calculations confirm the dynamical, elastic, and mechanical stability of the designed monolayer. Remarkably, the Td−W0.5Mo0.5Te2 monolayer exhibits a significantly enhanced intrinsic BCD of ∼ 4.5 Å (without any strain or external tuning) near the Fermi energy, which is nearly 100× larger than that in pristine {W, Mo}Te2 monolayer. This enhancement is attributed to a reduced energy gap, which amplifies Berry curvature contributions near the Fermi energy. Given that bulk Td−W0.5Mo0.5Te2 has already been synthesized, the proposed monolayer offers a readily accessible and strain-free 2D platform to harness substantial NLHE for next-generation quantum devices, including high-performance rectifiers and sensors.

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