Transition levels of defect centers in ZnO by hybrid functionals and localized basis set approach

Accurate defect levels obtained from the HSE06 range-separated hybrid functional

(2010) Peter Deák et al.   PHYSICAL REVIEW B

Why nitrogen cannot lead to p-type conductivity in ZnO

(2009) J. L. Lyons et al.   APPLIED PHYSICS LETTERS

Defects in ZnO

(2009) M. D. McCluskey et al.   JOURNAL OF APPLIED PHYSICS

Nitrogen impurity states in polycrystalline ZnO. A combined EPR and theoretical study

(2009) F. Gallino et al.   JOURNAL OF MATERIALS CHEMISTRY

Hybrid-functional calculations with plane-wave basis sets: Effect of singularity correction on total energies, energy eigenvalues, and defect energy levels

(2009) Peter Broqvist et al.   PHYSICAL REVIEW B

Fundamentals of zinc oxide as a semiconductor

(2009) Anderson Janotti et al.   REPORTS ON PROGRESS IN PHYSICS

Defect energetics in ZnO: A hybrid Hartree-Fock density functional study

(2008) Fumiyasu Oba 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

Ionization Energies of Shallow Donor States in ZnO Created by Reversible Formation and Depletion of H Interstitials

(2008) Hengshan Qiu et al.   PHYSICAL REVIEW LETTERS

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

(2008) Audrius Alkauskas et al.   PHYSICAL REVIEW LETTERS