The structural, elastic and thermodynamic properties of the cotunnite-type phase of Hafnia under high pressure from first-principles calculations

Keyphrases

• High Pressure 100%
• Structural Properties 100%
• Elastic Properties 100%
• First-principles Calculations 100%
• Thermodynamic Properties 100%
• Hafnia 100%
• Cotunnite-type 100%
• Bulk Modulus 40%
• Low Temperature 20%
• High Temperature 20%
• Temperature Rise 20%
• Poisson's Ratio 20%
• Thermal Expansion 20%
• Heat Capacity 20%
• Complete Description 20%
• Generalized Gradient Approximation 20%
• HfO2 20%
• Shear Modulus 20%
• Young's Modulus 20%
• Elastic Constants 20%
• Hafnium Oxide 20%
• Debye Temperature 20%
• Shear Wave Velocity 20%
• Compressional Wave Velocity 20%
• Quasi-harmonic Debye Model 20%
• Plane-wave Pseudopotential Method 20%

Chemistry

• First Principle 100%
• Elastic Property 100%
• Hyperbarism 100%
• Bulk Modulus 40%
• Generalized Gradient Approximation 20%
• Hafnium 20%
• Heat Capacity 20%
• Shear Modulus 20%
• Pseudopotential 20%
• Poisson Ratio 20%
• Debye Temperature 20%
• Plane Wave 20%
• Elasticity Constant 20%
• Thermal Expansion 20%

Material Science

• Elastic Property 100%
• Elastic Moduli 60%
• Thermal Expansion 20%
• Hafnium 20%
• Young's Modulus 20%
• Poisson Ratio 20%
• Elasticity 20%