4f fine-structure levels as the dominant error in the electronic structures of binary lanthanide oxides

Epitaxial polymorphism of La2O3 on Si(111) studied by in situ x-ray diffraction

(2014) A. Proessdorf et al.   APPLIED PHYSICS LETTERS

Study of CeO2 and Its Native Defects by Density Functional Theory with Repulsive Potential

(2014) Bolong Huang et al.   Journal of Physical Chemistry C

High throughput first-principles calculations of bixbyite oxides for TCO applications

(2014) Nasrin Sarmadian et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Ab initioanalysis of the defect structure of ceria

(2013) T. Zacherle et al.   PHYSICAL REVIEW B

Nature of the electronic band gap in lanthanide oxides

(2013) Roland Gillen et al.   PHYSICAL REVIEW B

Persistent Luminescence in Non-Eu2+-Doped Compounds: A Review

(2013) Koen Van den Eeckhout et al.   Materials

50th anniversary of the Judd–Ofelt theory: An experimentalist's view of the formalism and its application

(2012) Markus P. Hehlen et al.   JOURNAL OF LUMINESCENCE

Electronic properties of lanthanide oxides from theGWperspective

(2012) Hong Jiang et al.   PHYSICAL REVIEW B

Analysis of Intrinsic Defects in CeO2 Using a Koopmans-Like GGA+U Approach

(2011) Patrick R. L. Keating et al.   Journal of Physical Chemistry C

Systematics in the optical and electronic properties of the binary lanthanide halide, chalcogenide and pnictide compounds: an overview

(2011) E Rogers et al.   NEW JOURNAL OF PHYSICS

Intrinsic n-type Defect Formation in TiO2: A Comparison of Rutile and Anatase from GGA+U Calculations

(2010) Benjamin J. Morgan et al.   Journal of Physical Chemistry C

Rare earth monopnictides and monochalcogenides from first principles: towards an electronic phase diagram of strongly correlated materials

(2010) L Petit et al.   NEW JOURNAL OF PHYSICS

Generalized Koopmans density functional calculations reveal the deep acceptor state ofNOin ZnO

(2010) Stephan Lany et al.   PHYSICAL REVIEW B

Screened exchange density functional applied to solids

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

Spectroscopic Properties of Persistent Luminescence Phosphors: Lu2O3:Tb3+,M2+ (M = Ca, Sr, Ba)

(2009) Joanna Trojan-Piegza et al.   Journal of Physical Chemistry C

Polaronic hole localization and multiple hole binding of acceptors in oxide wide-gap semiconductors

(2009) Stephan Lany et al.   PHYSICAL REVIEW B

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

(2009) Hong Jiang et al.   PHYSICAL REVIEW LETTERS

Predictingd0magnetism: Self-interaction correction scheme

(2008) A. Droghetti 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