Towards efficient band structure and effective mass calculations for III-V direct band-gap semiconductors

Impact ionization rates for Si, GaAs, InAs, ZnS, and GaN in theGWapproximation

(2010) Takao Kotani et al.   PHYSICAL REVIEW B

Structure and optical properties of high light output halide scintillators

(2010) David J. Singh   PHYSICAL REVIEW B

Electronic structure calculations with the Tran-Blaha modified Becke-Johnson density functional

(2010) David J. Singh   PHYSICAL REVIEW B

Accurate prediction of defect properties in density functional supercell calculations

(2009) Stephan Lany et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Accurate band structures and effective masses for InP, InAs, and InSb using hybrid functionals

(2009) Yoon-Suk Kim et al.   PHYSICAL REVIEW B

Cu2ZnSnS4as a potential photovoltaic material: A hybrid Hartree-Fock density functional theory study

(2009) Joachim Paier et al.   PHYSICAL REVIEW B

Full-Zone Spin Splitting for Electrons and Holes in Bulk GaAs and GaSb

(2009) Jun-Wei Luo et al.   PHYSICAL REVIEW LETTERS

Accurate Band Gaps of Semiconductors and Insulators with a Semilocal Exchange-Correlation Potential

(2009) Fabien Tran et al.   PHYSICAL REVIEW LETTERS

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

(2008) Stephan Lany et al.   PHYSICAL REVIEW B

Dielectric properties and excitons for extended systems from hybrid functionals

(2008) Joachim Paier et al.   PHYSICAL REVIEW B

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

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