Realization of Electron Antidoping by Modulating the Breathing Distortion in BaBiO3.
Nano Lett
; 21(9): 3981-3988, 2021 May 12.
Article
em En
| MEDLINE
| ID: mdl-33886344
ABSTRACT
The recent proposal of antidoping scheme breaks new ground in conceiving conversely functional materials and devices; yet, the few available examples belong to the correlated electron systems. Here, we demonstrate both theoretically and experimentally that the main group oxide BaBiO3 is a model system for antidoping using oxygen vacancies. The first-principles calculations show that the band gap systematically increases due to the strongly enhanced Bi-O breathing distortions away from the vacancies and the annihilation of Bi 6s/O 2p hybridized conduction bands near the vacancies. Our further spectroscopic experiments confirm that the band gap increases systematically with electron doping, with a maximal gap enhancement of â¼75% when the film's stoichiometry is reduced to BaBiO2.75. These results unambiguously demonstrate the remarkable antidoping effect in a material without strong electron correlations and underscores the importance of bond disproportionation in realizing such an effect.
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Coleções:
01-internacional
Base de dados:
MEDLINE
Idioma:
En
Revista:
Nano Lett
Ano de publicação:
2021
Tipo de documento:
Article
País de afiliação:
Estados Unidos