Electronic structure of BaFe2As2 as obtained from DFT/ASW first-principles calculations

Chemistry

• Density Functional Theory 100%
• Electronic State 100%
• First Principle 100%
• Ab Initio Calculation 50%
• Superconductor 50%
• Magnetic Ordering 50%
• I4/Mmm 50%
• Structure 50%
• Plane Wave 50%
• Fmmm 50%

Material Science

• Ab Initio Calculation 100%
• Superconducting Material 100%
• Density 100%
• Electronic Structure 100%

Keyphrases

• BaFe2As2 100%
• Magnetic Energy 50%
• Plane Wave Calculations 50%
• Iron Pnictide Superconductors 50%
• Parent Compounds 50%