First-principles characterization of the structure and electronic structure of α-S and Rh-S chalcogenides

Keyphrases

• First-principles 100%
• First-principles Calculations 100%
• Electronic Structure 100%
• Structure Structure 100%
• Chalcogenides 100%
• Electronic Properties 50%
• Structural Properties 50%
• Thermodynamic Properties 50%
• Cell Interaction 50%
• Density of States 50%
• Solid Structure 50%
• Banded Structure 50%
• Dispersion Interaction 50%
• Structural Electronics 50%
• Centrosymmetric Structure 50%
• Ground State Structure 50%
• Structural Thermodynamics 50%
• Solid Sulfur 50%

Material Science

• Chalcogenides 100%
• Density 50%
• Electronic Property 50%
• Catalysis 50%