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Enhancing effect of Sn doping for the optical absorption of BaO/BaTiO3 interphase by first principles calculations

Enhancing effect of Sn doping for the optical absorption of BaO/BaTiO3 interphase by first... A narrow bandgap and high optical absorption are significantly important for the development of ferroelectric photovoltaic (FE‐PV). Nine lateral interface structures, which consist of Sn‐doped BaO (BSO) and BaTiO3 (BTO), are constructed in this work. The bandgap of BSO/BTO decreases to 1.20 eV from 2.46 eV of BTO based on first principles calculations. The electronic structures show that the Sn doping plays a very important role for the bandgap decrease of BaO/BTO. The optical adsorption coefficient of BSO/BTO remarkably increases compared with that of BTO. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Surface and Interface Analysis Wiley

Enhancing effect of Sn doping for the optical absorption of BaO/BaTiO3 interphase by first principles calculations

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References (37)

Publisher
Wiley
Copyright
© 2022 John Wiley & Sons, Ltd.
ISSN
0142-2421
eISSN
1096-9918
DOI
10.1002/sia.7109
Publisher site
See Article on Publisher Site

Abstract

A narrow bandgap and high optical absorption are significantly important for the development of ferroelectric photovoltaic (FE‐PV). Nine lateral interface structures, which consist of Sn‐doped BaO (BSO) and BaTiO3 (BTO), are constructed in this work. The bandgap of BSO/BTO decreases to 1.20 eV from 2.46 eV of BTO based on first principles calculations. The electronic structures show that the Sn doping plays a very important role for the bandgap decrease of BaO/BTO. The optical adsorption coefficient of BSO/BTO remarkably increases compared with that of BTO.

Journal

Surface and Interface AnalysisWiley

Published: Sep 1, 2022

Keywords: BaTiO 3; doping; first‐principles; lateral interface; optical absorption

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