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First-principles calculations on surface hydroxyl impurities in BaF
2
H. Shi
*
, R. Jia, R. I. Eglitis
*
Corresponding author for this work
School of Physics
University of Wuppertal
University of Latvia
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peer-review
2
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2
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Chemistry
First Principle
100%
Hydroxyl
100%
Valence Band
100%
Density Functional Theory
66%
Conduction Band
33%
Electronic Band Structure
33%
Density of State
33%
Absorptivity
33%
Defect Level
33%
Material Science
Density
100%