Structural, electronic, and hyperfine properties of pure and Ta-dopedm-ZrO2

First-principles prediction of the thermodynamic stability of xenon in monoclinic, tetragonal, and yttrium-stabilized cubic ZrO2

(2011) Chao Jiang et al.   PHYSICAL REVIEW B

First-principles thermodynamic modeling of atomic ordering in yttria-stabilized zirconia

(2010) P. Dalach et al.   PHYSICAL REVIEW B

Coexistence of different charge states in Ta-doped monoclinicHfO2: Theoretical and experimental approaches

(2010) M. A. Taylor et al.   PHYSICAL REVIEW B

Electronic band structure of zirconia and hafnia polymorphs from theGWperspective

(2010) Hong Jiang et al.   PHYSICAL REVIEW B

Defect-induced ferromagnetism in undoped and Mn-doped zirconia thin films

(2010) Jan Zippel et al.   PHYSICAL REVIEW B

Defect studies of nanocrystalline zirconia powders and sintered ceramics

(2010) Jakub Čížek et al.   PHYSICAL REVIEW B

Multinuclear NMR study of silica fiberglass modified with zirconia

(2010) O.B. Lapina et al.   SOLID STATE NUCLEAR MAGNETIC RESONANCE

First-principles study of the structural and elastic properties of zirconia

(2009) Giuseppe Fadda et al.   PHYSICAL REVIEW B

Monoclinic to tetragonal transformations in hafnia and zirconia: A combined calorimetric and density functional study

(2009) Xuhui Luo et al.   PHYSICAL REVIEW B

Magnetism without magnetic impurities in ZrO2 oxide

(2008) František Máca et al.   APPLIED PHYSICS LETTERS

Ab initiostudy of structural and electronic properties and hyperfine interactions at the Ta nucleus in Ta-doped monoclinicHfO2

(2008) R. E. Alonso et al.   PHYSICAL REVIEW B

Structure, phase transformations, and defects ofHfO2andZrO2nanoparticles studied byTa181andCd111perturbed angular correlations,H1magic-angle spinning NMR, XPS, and x-ray and electron diffraction

(2008) M. Forker et al.   PHYSICAL REVIEW B

Band offsets of ultrathin high-κoxide films with Si

(2008) Eric Bersch et al.   PHYSICAL REVIEW B

Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces

(2008) John P. Perdew et al.   PHYSICAL REVIEW LETTERS