First-Principles Studies of Ta₂O₅ Polymorphs

Keyphrases

• First-principles Study 100%
• Ta2O5 100%
• Polymorph 100%
• CRISTAL 66%
• Mechanical Properties 66%
• Generalized Gradient Approximation 66%
• Physical Properties 33%
• Oxygen Vacancy 33%
• Density Functional Theory 33%
• Occupancy 33%
• Electronic Properties 33%
• Stoichiometry 33%
• Amorphous Phase 33%
• Hybrid Density Functional Theory 33%
• Crystalline Phase 33%
• Crystalline Structure 33%
• Amorphous Structure 33%
• Amorphous Thin Films 33%
• Young's Modulus 33%
• Tensor Properties 33%
• Exchange Functional 33%
• Comparison with Experimental Data 33%
• Oxygen-rich 33%
• Tantala 33%
• Gap Size 33%
• Elastic Tensor 33%
• Functional Method 33%
• Rich Systems 33%
• Projector Augmented Wave Method 33%
• Crystalline Form 33%

Physics

• First Principle 100%
• Density Functional Theory 100%
• Generalized Gradient Approximation 100%
• Strength of Materials 100%
• Crystal 100%
• Stoichiometry 50%
• Thin Films 50%
• Energetics 50%
• Oxygen Vacancy 50%
• Crystal Structure 50%
• Young's Modulus 50%
• Amorphous Material 50%

Material Science

• Mechanical Property 100%
• Strength of Materials 100%
• Density 100%
• Young's Modulus 50%
• Thin Films 50%
• Crystal Structure 50%
• Electronic Property 50%
• Oxygen Vacancy 50%
• Amorphous Material 50%
• Crystalline Phase 50%