First-principles characterization of single-electron polaron in WO_{3}

First-principles characterization of single-electron polaron in WO_{3}

Polarons are physical objects of material science that are hard to capture from first-principles calculations. WO_{3} is a paradigmatic system to study polarons and here we present calculations of a single self-trapped single polaron in WO_{3} from density functional theory calculations. Our calcula...

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Bibliographic Details
Main Authors: Eric Bousquet, Hanen Hamdi, Pablo Aguado-Puente, Ekhard K. H. Salje, Emilio Artacho, Philippe Ghosez
Format: Article
Language:English
Published: American Physical Society 2020-03-01
Series:Physical Review Research
Online Access:http://doi.org/10.1103/PhysRevResearch.2.012052

Internet

http://doi.org/10.1103/PhysRevResearch.2.012052

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