Stability and charge transfer levels of extrinsic defects inLiNbO3

Structure and diffusion of intrinsic defect complexes in LiNbO3from density functional theory calculations

(2010) Haixuan Xu et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Local Structure of Fe-Doped LiNbO3Crystal Measured by X-ray Absorption Fine Structure

(2009) Dong-Seok Yang et al.   JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN

Structure and energetics of Er defects inLiNbO3from first-principles and thermodynamic calculations

(2009) Haixuan Xu et al.   PHYSICAL REVIEW B

Ab-initiosimulations of materials using VASP: Density-functional theory and beyond

(2008) Jürgen Hafner   JOURNAL OF COMPUTATIONAL CHEMISTRY

Electronic structure of cubic ErxGa1−xN using the LSDA+U approach

(2008) A. Lazreg et al.   PHYSICA B-CONDENSED MATTER

First-principles study of microscopic properties of the Nb antisite inLiNbO3: Comparison to phenomenological polaron theory

(2008) H. H. Nahm et al.   PHYSICAL REVIEW B

Stability of intrinsic defects and defect clusters inLiNbO3from density functional theory calculations

(2008) Haixuan Xu et al.   PHYSICAL REVIEW B