First-principles calculations and re-analysis of optical spectra and electron paramagnetic resonance parameters for Yb³⁺ in YAl₃(BO₃)₄ crystal

Keyphrases

• Optical Spectra 100%
• First-principles Calculations 100%
• Electron Paramagnetic Resonance 100%
• Resonance Parameters 100%
• Chinese Society 33%
• Copyright 33%
• Experimental Values 33%
• Defected Ground Structure 33%
• Computer Package 33%
• G-factor 33%
• Fitting Approach 33%
• Energy Levels 33%
• Parameter Values 33%
• Perturbation Method 33%
• Hyperfine Coupling Constant 33%
• Dy3+ 33%
• Yttrium Aluminium Borate 33%
• First-principles Method 33%
• Rare Earth 33%
• Incorrect Use 33%
• Fitting Method 33%
• Borate Crystals 33%
• Wien2k 33%
• Irreducible Representation 33%

Material Science

• Defect Structure 100%
• Borate 100%
• Yttrium 100%
• Aluminum 100%

Physics

• Electron Paramagnetic Resonance 100%
• First Principle 100%
• Spectra 100%
• First-Principles 33%
• Hyperfine Structure 33%