New Perspective on Formation Energies and Energy Levels of Point Defects in Nonmetals

Defect levels through hybrid density functionals: Insights and applications

(2010) Audrius Alkauskas et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

Accurate gap levels and their role in the reliability of other calculated defect properties

(2010) Peter Deák et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

Electronic band structure of zirconia and hafnia polymorphs from theGWperspective

(2010) Hong Jiang et al.   PHYSICAL REVIEW B

Alignment of defect levels and band edges through hybrid functionals: Effect of screening in the exchange term

(2010) Hannu-Pekka Komsa et al.   PHYSICAL REVIEW B

Many-bodyGWcalculation of the oxygen vacancy in ZnO

(2010) Stephan Lany et al.   PHYSICAL REVIEW B

Hybrid functional studies of the oxygen vacancy inTiO2

(2010) A. Janotti et al.   PHYSICAL REVIEW B

Defect Formation Energies without the Band-Gap Problem: Combining Density-Functional Theory and theGWApproach for the Silicon Self-Interstitial

(2009) Patrick Rinke et al.   PHYSICAL REVIEW LETTERS

Electronic surface error in the Si interstitial formation energy

(2008) Ann E. Mattsson et al.   PHYSICAL REVIEW B

Band structure of ZnO from resonant x-ray emission spectroscopy

(2008) A. R. H. Preston et al.   PHYSICAL REVIEW B

Assessment of correction methods for the band-gap problem and for finite-size effects in supercell defect calculations: Case studies for ZnO and GaAs

(2008) Stephan Lany et al.   PHYSICAL REVIEW B

Defect Energy Levels in Density Functional Calculations: Alignment and Band Gap Problem

(2008) Audrius Alkauskas et al.   PHYSICAL REVIEW LETTERS