Accurate Gap Levels and Their Role in the Reliability of Other Calculated Defect Properties

Peter Deák, Adam Gali, Bálint Aradi, Thomas Frauenheim

Research output: Chapter in Book/Report/Conference proceedingChapter

Original languageEnglish
Title of host publicationAdvanced Calculations for Defects in Materials
Subtitle of host publicationElectronic Structure Methods
PublisherWiley-VCH
Pages139-154
Number of pages16
ISBN (Print)9783527410248
DOIs
Publication statusPublished - Jun 18 2011

Keywords

  • Band-gap
  • Defects
  • Density functional theory
  • Hybrid functionals

ASJC Scopus subject areas

  • Materials Science(all)

Cite this

Deák, P., Gali, A., Aradi, B., & Frauenheim, T. (2011). Accurate Gap Levels and Their Role in the Reliability of Other Calculated Defect Properties. In Advanced Calculations for Defects in Materials: Electronic Structure Methods (pp. 139-154). Wiley-VCH. https://doi.org/10.1002/9783527638529.ch8