Improving the modified Becke-Johnson exchange potential

Band gap of InxGa1−xN: A first principles analysis

(2011) Mathieu César et al.   APPLIED PHYSICS LETTERS

Spin–orbit and modified Becke–Johnson potential effects on the electronic properties of bulk Ge: A density functional theory study

(2011) P.V. Smith et al.   COMPUTATIONAL MATERIALS SCIENCE

Improved half-metallic ferromagnetism of transition-metal pnictides and chalcogenides calculated with a modified Becke-Johnson exchange potential

(2011) San-Dong Guo et al.   EPL

Structural, electronic, optical, and magneto-optical properties of Bi12MO20 (M = Ti, Ge, Si) sillenite crystals from first principles calculations

(2011) A. F. Lima et al.   JOURNAL OF APPLIED PHYSICS

Electronic structures and optical dielectric functions of room temperature phases of SrTiO3 and BaTiO3

(2011) San-Dong Guo et al.   JOURNAL OF APPLIED PHYSICS

Structural and electronic properties of ZrX2 and HfX2 (X = S and Se) from first principles calculations

(2011) Hong Jiang   JOURNAL OF CHEMICAL PHYSICS

Electronic structure and band gap of zinc spinel oxides beyond LDA: ZnAl2O4, ZnGa2O4and ZnIn2O4

(2011) H Dixit et al.   NEW JOURNAL OF PHYSICS

Electronic structure of ZrSxSe2−xby Tran-Blaha modified Becke-Johnson density functional

(2011) A. Ghafari et al.   PHYSICAL REVIEW B

Electronic structure, optical properties, and bonding in alkaline-earth halofluoride scintillators: BaClF, BaBrF, and BaIF

(2011) N. Yedukondalu et al.   PHYSICAL REVIEW B

Merits and limits of the modified Becke-Johnson exchange potential

(2011) David Koller et al.   PHYSICAL REVIEW B

Density-based mixing parameter for hybrid functionals

(2011) Miguel A. L. Marques et al.   PHYSICAL REVIEW B

Three-Dimensional Topological Insulators inI−III−VI2andII−IV−V2Chalcopyrite Semiconductors

(2011) Wanxiang Feng et al.   PHYSICAL REVIEW LETTERS

Optical properties of ferroelectricBi4Ti3O12

(2010) David J. Singh et al.   PHYSICAL REVIEW B

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

(2010) Yoon-Suk Kim et al.   PHYSICAL REVIEW B

Kohn-Sham potential with discontinuity for band gap materials

(2010) M. Kuisma et al.   PHYSICAL REVIEW B

Structure and optical properties of high light output halide scintillators

(2010) David J. Singh   PHYSICAL REVIEW B

Half-Heusler topological insulators: A first-principles study with the Tran-Blaha modified Becke-Johnson density functional

(2010) Wanxiang Feng et al.   PHYSICAL REVIEW B

Topological electronic structure in half-Heusler topological insulators

(2010) W. Al-Sawai et al.   PHYSICAL REVIEW B

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

(2010) David J. Singh   PHYSICAL REVIEW B

Ab-initiotheory of semiconductor band structures: New developments and progress

(2009) F. Bechstedt et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

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

(2009) Fabien Tran et al.   PHYSICAL REVIEW LETTERS

Band offsets of ultrathin high-κoxide films with Si

(2008) Eric Bersch et al.   PHYSICAL REVIEW B