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

Further characterization of oxygen vacancies and zinc vacancies in electron-irradiated ZnO

(2008) S. M. Evans et al.   JOURNAL OF APPLIED PHYSICS

Magnetic interactions ofCr−CrandCo−Coimpurity pairs inZnOwithin a band-gap corrected density functional approach

(2008) Stephan Lany et al.   PHYSICAL REVIEW B

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

(2008) Fumiyasu Oba et al.   PHYSICAL REVIEW B

Impurity-ion pair induced high-temperature ferromagnetism in Co-doped ZnO

(2008) C. D. Pemmaraju et al.   PHYSICAL REVIEW B

First-principles calculation of the O vacancy in ZnO: A self-consistent gap-corrected approach

(2008) Tula R. Paudel et al.   PHYSICAL REVIEW B

IntrinsicDXCenters in Ternary Chalcopyrite Semiconductors

(2008) Stephan Lany et al.   PHYSICAL REVIEW LETTERS

Atomic Control of Conductivity Versus Ferromagnetism in Wide-Gap Oxides Via Selective Doping: V, Nb, Ta in AnataseTiO2

(2008) Jorge Osorio-Guillén 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

Localization and Delocalization Errors in Density Functional Theory and Implications for Band-Gap Prediction

(2008) Paula Mori-Sánchez et al.   PHYSICAL REVIEW LETTERS

Orbital-dependent density functionals: Theory and applications

(2008) Stephan Kümmel et al.   REVIEWS OF MODERN PHYSICS