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dc.contributor.authorKang, Youngho
dc.contributor.authorPeelaers, Hartwin
dc.contributor.authorVan de Walle, Chris G.
dc.date.accessioned2021-02-23T22:21:22Z
dc.date.available2021-02-23T22:21:22Z
dc.date.issued2019-09-30
dc.identifier.citationYoungho Kang, Hartwin Peelaers, and Chris G. Van de Walle, "First-principles study of electron-phonon interactions and transport in anatase TiO2", Phys. Rev. B 100, 121113(R), DOI: 10.1103/PhysRevB.100.121113en_US
dc.identifier.urihttp://hdl.handle.net/1808/31463
dc.description.abstractElectron transport in anatase TiO2, which has important applications in oxide electronics and photocatalysis, is still poorly understood. We investigate the electron mobility in anatase TiO2 by performing first-principles calculations of electron and phonon spectra as well as electron-phonon coupling. The formation of large polarons (quasiparticles formed by electrons interacting with phonons in a polar medium) leads to a renormalization of the electronic band structure, which we address using many-body perturbation theory. We correlate the lowering of the mobility of these quasiparticles to the renormalization of band velocities due to the electron-phonon interaction. These results explain why the mobility decreases with increasing temperature, as observed in experiments.en_US
dc.publisherAmerican Physical Societyen_US
dc.rights© 2019 American Physical Society.en_US
dc.titleFirst-principles study of electron-phonon interactions and transport in anatase TiO2en_US
dc.typeArticleen_US
kusw.kuauthorPeelaers, Hartwin
kusw.kudepartmentPhysics and Astronomyen_US
dc.identifier.doi10.1103/PhysRevB.100.121113en_US
dc.identifier.orcidhttps://orcid.org/0000-0003-4532-0027en_US
kusw.oaversionScholarly/refereed, publisher versionen_US
kusw.oapolicyThis item meets KU Open Access policy criteria.en_US
dc.rights.accessrightsopenAccessen_US


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