BaZrSe 3: Ab initio study of anion substitution for bandgap tuning in a chalcogenide material

Keyphrases

• Chalcogenide Materials 100%
• Solar Cell Applications 100%
• Ab Initio Study 100%
• Ion Substitution 100%
• Band Gap Tuning 100%
• Perovskite 50%
• Optical Absorption Coefficient 50%
• Optical Properties 50%
• Evolutionary Method 50%
• Optoelectronic Properties 50%
• Frequency Calculation 50%
• Accurate Calculation 50%
• Typical Condition 50%
• Ab Initio Molecular Dynamics 50%
• Phonon Frequencies 50%
• Low Band Gap 50%
• Optimal Structure 50%
• High Optical Absorption 50%

Physics

• Energy Gaps (Solid State) 100%
• Chalcogenides 100%
• Solar Cell 100%
• Transition Metal 50%
• Molecular Dynamics 50%
• Perovskites 50%
• Optoelectronics 50%
• Electromagnetic Absorption 50%
• Phonon 50%

Material Science

• Chalcogenides 100%
• Solar Cell 100%
• Transition Metal 50%
• Theoretical Calculation 50%
• Optical Property 50%