First-principles lattice dynamics, thermodynamics, and elasticity of Cr ₂O ₃

Keyphrases

• First-principles 100%
• Thermodynamics 100%
• Chromium Oxide 100%
• Lattice Dynamics 100%
• Dynamic Elasticity 100%
• Elastic Constants 50%
• Phonon Dispersion 50%
• Bulk Modulus 50%
• Phonon Density of States 50%
• First-principles Density Functional Theory 50%
• Equilibrium Volume 50%
• Linear Thermal Expansion Coefficient 50%
• Volume Heat Capacity 50%
• Mott-Hubbard Insulator 50%
• Atomic Volume 50%
• Chromia 50%
• Density Functional Theory Plus U 50%

Material Science

• Density 100%
• Elasticity 100%
• Lattice Vibration 100%
• Elastic Moduli 50%
• Thermal Expansion 50%
• Elasticity 50%
• Phonon Dispersion 50%