First-principles study of the composition, cation arrangement, and local structure in high-performance Bi(Me ³⁺)O₃-PbTiO₃(Me ³⁺ = Ga, Sc, In) ferroelectric solid solutions

Keyphrases

• Solid Solution 100%
• High Performance 100%
• Local Structure 100%
• PbTiO3 100%
• Cation Arrangement 100%
• Cation Displacement 100%
• First-principles Study 100%
• Ferroelectric Solid Solutions 100%
• Off-centering 66%
• Material Properties 33%
• Volume Expansion 33%
• Relative Strength 33%
• Ferroelectric Perovskites 33%
• Perovskite Oxide 33%
• Rational Design 33%
• Electronic Devices 33%
• Ferroelectric Materials 33%
• Piezoelectric Materials 33%
• Perovskite Solid Solution 33%
• First-principles Density Functional Theory 33%
• Ionic Radius 33%
• Ionic Size 33%
• Expansion Effect 33%
• Negative Pressure 33%
• Precise Prediction 33%
• Solid Properties 33%
• Tilt Effects 33%
• Directional Arrangement 33%
• Displacement Magnitude 33%
• High Displacement 33%
• Ionic Size Effect 33%

Chemistry

• Phase Composition 100%
• First Principle 100%
• Cation 100%
• Solid Solution 100%
• Density Functional Theory 10%
• Ferroelectricity 10%
• Lead Ion 10%

Material Science

• Ferroelectric Material 100%
• Solid Solution 100%
• Density 20%
• Mechanical Strength 20%
• Piezoelectric Material 20%
• Ferroelectricity 20%
• Oxide Compound 20%
• Materials Property 20%