Assessing the accuracy of hybrid functionals in the determination of defect levels: Application to the As antisite in GaAs
Author:
Publisher
American Physical Society (APS)
Subject
Condensed Matter Physics,Electronic, Optical and Magnetic Materials
Link
http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevB.84.075207/fulltext
Reference36 articles.
1. Defect Energy Levels in Density Functional Calculations: Alignment and Band Gap Problem
2. Defect levels through hybrid density functionals: Insights and applications
3. Localization and Delocalization Errors in Density Functional Theory and Implications for Band-Gap Prediction
4. Alignment of defect levels and band edges through hybrid functionals: Effect of screening in the exchange term
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