Candidate ferroelectrics via ab initio high-throughput screening of polar materials

Keyphrases

• High-throughput Screening 100%
• Polar Materials 100%
• Synthesizability 66%
• Ferroelectric Materials 66%
• Reference Structure 33%
• Formation Energy 33%
• Electric Field (E-field) 33%
• Energy Barrier 33%
• Energy Difference 33%
• Prediction Accuracy 33%
• Automatically Generate 33%
• Diverse Applications 33%
• High Polarization 33%
• Scopus Database 33%
• Google Scholar 33%
• Microelectronics 33%
• Functional Materials 33%
• Higher Symmetries 33%
• Machine Learning Based 33%
• Energy Conversion 33%
• Polar Structure 33%
• Atomic Scale 33%
• Alternative Application 33%
• Phonon Band Structure 33%
• Projected Database 33%
• Field Properties 33%
• Convex Hull 33%
• Crystal Structure Data 33%
• Polarization Energy 33%
• High-throughput Workflow 33%
• Switchability 33%
• Inorganic Structures 33%
• Ranking Strategy 33%
• Polarization Difference 33%
• Materials Project 33%
• Deformable 33%
• Computational Search 33%
• Pseudosymmetry 33%

Engineering

• Polar Material 100%
• Energy Barrier 33%
• Ground State 33%
• Predicted Value 33%
• Energy Conversion 33%
• Crystal Structure 33%
• Energy Difference 33%
• Electric Field 33%
• Formation Energy 33%
• Accurate Prediction 33%
• Microelectronics 33%
• Band Structure 33%

Material Science

• Ferroelectric Material 100%
• Crystal Structure 11%
• Functional Material 11%