Nature of the electronic band gap in lanthanide oxides

Electronic and magnetic properties of Ti2O3, Cr2O3, and Fe2O3calculated by the screened exchange hybrid density functional

(2012) Yuzheng Guo et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Electronic properties of lanthanide oxides from theGWperspective

(2012) Hong Jiang et al.   PHYSICAL REVIEW B

Band structure calculations of CuAlO2, CuGaO2, CuInO2, and CuCrO2by screened exchange

(2011) Roland Gillen et al.   PHYSICAL REVIEW B

VO2: A Novel View from Band Theory

(2011) V. Eyert   PHYSICAL REVIEW LETTERS

B3LYP calculations of cerium oxides

(2010) Jolla Kullgren et al.   JOURNAL OF CHEMICAL PHYSICS

Intrinsic defects in ZnO calculated by screened exchange and hybrid density functionals

(2010) S. J. Clark et al.   PHYSICAL REVIEW B

Screened exchange density functional applied to solids

(2010) Stewart J. Clark et al.   PHYSICAL REVIEW B

Anisotropy and magnetism in theLSDA+Umethod

(2009) Erik R. Ylvisaker et al.   PHYSICAL REVIEW B

Localized and Itinerant States in Lanthanide Oxides United byGW @ LDA+U

(2009) Hong Jiang et al.   PHYSICAL REVIEW LETTERS

Density-Functional Calculations of the Structure of Near-Surface Oxygen Vacancies and Electron Localization onCeO2(111)

(2009) M. Verónica Ganduglia-Pirovano et al.   PHYSICAL REVIEW LETTERS

Modeling doped and defective oxides in catalysis with density functional theory methods: Room for improvements

(2008) Gianfranco Pacchioni   JOURNAL OF CHEMICAL PHYSICS