journal article·2026

Interwoven electronic and phononic topologies via electron–phonon coupling and locality-engineered edge states in monolayer ZrBr

Jinghua Zhao, Zhengxin Yan, Yu Wang, Chen Qi, Kezhao Xiong, Zhaoqi Wang

Nanoscale· Volume 18· Issue 12
Publisher page

Abstract

Monolayer ZrBr combines excellent electronic and phononic transport, forming a compact platform for coupled topology. First-principles and Wannier-Green's-function calculations show symmetry-protected near-linear crossings along K-Γ-M-K without spin-orbit coupling (SOC). With SOC, a direct gap of ∼45.6 meV opens at Γ with a pronounced reorganization of Zr-4d orbital weights. The Wilson-loop evolution yields Z2 = 1, and semi-infinite boundary spectra exhibit a gap-traversing helical edge channel, consistent with the constant-energy contour and in-plane spin winding. Phonon dispersions contain no imaginary frequencies and resolve two low-frequency softening anomalies at Γ and near (0.09,0.16,0); their progressive suppression with increasing electronic smearing indicates a Kohn-anomaly-type renormalization driven by Fermi-surface screening. Atom-projected phonon densities of states partition vibrations into a Zr-dominated low-frequency sector and a Br-dominated mid-to-high-frequency sector. The Eliashberg function α2F(ω) yields strong coupling λ = 1.26 and superconducting quasiparticle signatures with Tc = 21.67 K. Around ∼3.45 THz, boundary phonon spectra, iso-frequency contours, and sign-alternating phonon Berry curvature jointly indicate a nontrivial phonon geometric response.
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Research context

OpenAlex topics: 2D Materials and Applications · Topological Materials and Phenomena · Graphene research and applications

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

College of Science, Xi'an University of Science and Technology, Xi'an 710054, China

Funding

National Natural Science Foundation of China · Natural Science Basic Research Program of Shaanxi Province

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