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20242026
most citedExcitonic polarons and self-trapped excitons from first-principles exciton-phonon couplings

48 citations · 106 across the 7 of their papers we have counts for

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cond-mat.mtrl-sci2026

Nonlinear electron-phonon interactions from first principles

Zhenbang Dai, Feliciano Giustino

Electron-phonon interactions underpin a variety of phenomena, ranging from transport and superconductivity to polarons and ultrafast carrier dynamics. Despite being one of the most…

cond-mat.mtrl-sci2026

Watching Polarons Form in Real Time

Victor Garcia-Herrero, Christoph Emeis, Zhenbang Dai +3

Polaron formation in pump-probe experiments is an inherently non-equilibrium phenomenon, driven by the ultrafast coupled dynamics of electrons and phonons, and culminating in the e…

cond-mat.mtrl-sci2025

Polarons from first principles

Zhenbang Dai, Jon Lafuente-Bartolome, Feliciano Giustino

This article reviews recent theoretical developments in the ab initio study of polarons in materials. The polaron is an emergent quasiparticle that arises from the interaction betw…

cond-mat.mtrl-sci2025★ 2 cited

Comparison between first-principles supercell calculations of polarons and the ab initio polaron equations

Zhenbang Dai, Donghwan Kim, Jon Lafuente-Bartolome +1

Polarons are composite quasiparticles formed by excess charges and the accompanying lattice distortions in solids, and play a critical role in transport, optical, and catalytic pro…

cond-mat.mtrl-sci2024★ 16 cited

Identification of large polarons and exciton polarons in rutile and anatase polymorphs of titanium dioxide

Zhenbang Dai, Feliciano Giustino

Titanium dioxide (TiO2) is a wide-gap semiconductor with numerous applications in photocatalysis, photovoltaics, and neuromorphic computing. The unique functional properties of thi…

cond-mat.mtrl-sci2024★ 40 cited

Theory of excitonic polarons: From models to first-principles calculations

Zhenbang Dai, Chao Lian, Jon Lafuente-Bartolome +1

Excitons are neutral excitations that are composed of electrons and holes bound together by their attractive Coulomb interaction. The electron and the hole forming the exciton also…

cond-mat.mtrl-sci2024★ 48 cited

Excitonic polarons and self-trapped excitons from first-principles exciton-phonon couplings

Zhenbang Dai, Chao Lian, Jon Lafuente-Bartolome +1

Excitons consist of electrons and holes held together by their attractive Coulomb interaction. Although excitons are neutral excitations, spatial fluctuations in their charge densi…