First-principles calculations of surface H centers in BaF₂

Chemistry

• Density Functional Theory 100%
• First Principle 100%
• Valence Band 50%
• Density of State 50%
• Charge Distribution 50%
• Relaxation 50%
• Fluorine Atom 50%
• Barium 50%

Material Science

• Density 100%
• Barium 33%