Accurate first-principles evaluation of structural, electronic, optical and photocatalytic properties of BaHfO3 and SrHfO3 perovskites

Chemistry

• Density Functional Theory 100%
• Optical Property 100%
• First Principle 100%
• Energetics 100%
• Perovskites 100%
• Photocatalytic 100%
• Application 66%
• Band Gap 66%
• Oxide 66%
• Electronic Property 66%
• Concentration 33%
• Lattice Parameter 33%
• Charge Carrier 33%
• Physical Property 33%
• Alkaline Earth Metal 33%
• Hafnium 33%
• Exchange Correlation Energy 33%

Physics

• Gaps 100%
• Optical Properties 100%
• First-Principles 100%
• Evaluation 100%
• Performance 66%
• Utilization 66%
• Oxide 66%
• DFT Calculations 66%
• Approximation 33%
• Lattice Parameter 33%
• Broadband 33%
• Density Functional Theory 33%

Material Science

• Electronics 100%
• Optical Property 100%
• Oxide 66%
• Electronic Property 66%
• Material 33%
• Charge Carrier 33%
• Lattice Constant 33%
• Electronic Device 33%
• Correlation 33%
• Physical Property 33%
• Band-Gap Material 33%
• Optical Device 33%
• Alkaline Earth Metal 33%