A Density-Functional Theory Study of Hole and Defect-Bound Exciton Polarons in Lithium Niobate

A Density-Functional Theory Study of Hole and Defect-Bound Exciton Polarons in Lithium Niobate

Hole polarons and defect-bound exciton polarons in lithium niobate are investigated by means of density-functional theory, where the localization of the holes is achieved by applying the <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline">...

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Bibliographic Details
Main Authors: Falko Schmidt, Agnieszka L. Kozub, Uwe Gerstmann, Wolf Gero Schmidt, Arno Schindlmayr
Format: Article
Language:English
Published: MDPI AG 2022-11-01
Series:Crystals
Subjects:
lithium niobate
polarons
charge localization
lattice deformation
density-functional theory
optical absorption
Online Access:https://www.mdpi.com/2073-4352/12/11/1586

Internet

https://www.mdpi.com/2073-4352/12/11/1586

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