Atomistic and ab initio DFT modelling of the defect structures in Al³⁺/Cr³⁺-doped and co-doped Y₃Fe₅O₁₂

Engineering & Materials Science

• Yttrium iron garnet 100%
• Defect structures 96%
• Discrete Fourier transforms 66%
• Ions 56%
• Substitution reactions 30%
• Impurities 14%
• Defects 10%
• Crystals 7%
• Stabilization 6%
• Temperature 3%

Chemical Compounds

• Crystal Defect 71%
• Ion 24%
• Substitution Reaction 19%
• Spin-Spin Coupling 10%
• Density Functional Theory 9%
• Stabilization Energy 9%
• Crystal Field 8%
• Calorific Value 8%
• Energy 3%

Physics & Astronomy

• substitutes 36%
• defects 33%
• ions 28%
• spin-spin coupling 10%
• antisite defects 10%
• impurities 10%
• crystal field theory 7%
• energy 6%
• stabilization 6%
• temperature 2%