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    Giant spin Hall effects and topological surface states in the ternary-layered MAX carbides Mn+1AlCn (M=Nb,Ta;n=1,2,3)

    Yanhui Chen1, Hong-Yan Lu2, Wenjin Yang1, Meifeng Liu1, Bin Cui3, Desheng Liu3, Bing Huang4, and Xi Zuo1,*

    • *Contact author: zuoxi@hbnu.edu.cn

    Phys. Rev. B 113, 125146 – Published 26 March, 2026

    DOI: https://doi.org/10.1103/j5dm-1wn2

    Abstract

    In this work, we present a systematic investigation of the electronic structures, band topology, and intrinsic spin Hall effect (SHE) in the layered MAX carbides Mn+1AlCn (M=Nb,Ta;n=1,2,3) and explore the correlation effects on the SHE. Our results show that this family of materials exhibits Dirac-band-crossing features near the Fermi level EF and forms nodal lines in the absence of spin-orbit coupling (SOC). When the SOC is included, the Dirac band crossings are fully gapped, resulting in nontrivial Z2 topological invariants (1;000) with a pair of surface states on the (001) plane. Notably, the multiple gapped Dirac points contribute to locally strong spin Berry curvatures, which lead to large spin Hall conductivities (SHCs) and spin Hall angles (0.02–0.62 at EF) for Tan+1AlCn (n=1,2,3). Moreover, we also elucidate the impact of the Hubbard U correction on SHCs. Our findings suggest that Tan+1AlCn (n=1,2,3) might represent intriguing layered Z2 topological metals with superior charge-to-spin conversion efficiency.

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