Topological Charge-Transfer Excitons

Huiyuan Zheng; Kaijie Yang; Ting Cao; Di Xiao

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arXiv · 2608.05308

Topological Charge-Transfer Excitons

Huiyuan Zheng·Kaijie Yang·Ting Cao·Di Xiao

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Abstract

Excitons possess internal structure absent from single-particle Bloch particles, allowing their band topology to emerge from the bound-state structure rather than being inherited from their constituents. This raises the question of how the internal structure of a bound state can provide a microscopic origin of exciton topology. Here we show that the real-space embedding of charge-transfer excitons can generate an intrinsic manifold of symmetry-related off-site composite orbitals whose coupling supports topological exciton bands. Lateral electron-hole separation embeds the localized exciton on the bond connecting its constituent sites rather than on either site. We demonstrate this mechanism in a honeycomb lattice, where three bond-centered charge-transfer exciton orbitals form a Kagome lattice. By solving the Bethe-Salpeter equation, we show that this emergent multi-orbital manifold supports a topological exciton flat band upon time-reversal symmetry breaking, even when the electron and hole bands are topologically trivial. The resulting band exhibits nearly uniformly distributed quantum geometry, favorable for interaction-driven bosonic states. Our results establish a general route toward topological bands of localized composite bound states and unconventional strongly correlated bosonic phases.

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Huiyuan Zheng, Kaijie Yang, Ting Cao, Di Xiao. 2026-08-05. Topological Charge-Transfer Excitons. https://arxiv.org/abs/2608.05308

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