Structure and diffusion of intrinsic defect complexes in LiNbO₃ from density functional theory calculations

Keyphrases

• Density Functional Calculations 100%
• Lithium Niobate 100%
• Intrinsic Defects 100%
• Defect Complexes 100%
• Defect Clusters 100%
• Room Temperature 66%
• Lithium Vacancy 66%
• Ferroelectric Properties 33%
• Niobium 33%
• Density Functional Theory 33%
• Dipole Moment 33%
• Uniaxial 33%
• Diffusivity 33%
• Thermodynamic Calculation 33%
• Sublattice 33%
• Non-stoichiometric 33%
• Relative Stability 33%
• Antisite 33%
• Diffusion Mechanism 33%

Material Science

• Lithium 100%
• Density 100%
• Ferroelectricity 100%
• Niobium 50%
• Diffusivity 50%