Electronic bonding characteristics of hydrogen in bcc iron: Part I. Interstitials

Keyphrases

• Bonding Characteristics 100%
• Bcc Iron 100%
• Interstitial H 100%
• Electronic Structure Calculations 50%
• Lattice Relaxation 50%
• Bond Strength 50%
• Discrete Variational Method 50%
• Small Distance 50%
• Local Density Functional 50%
• Volume Expansion 50%
• Repulsive Force 50%
• Functional Formalism 50%
• Octahedral Sites 50%
• Fe Clusters 50%
• Relaxation Volume 50%

Material Science

• Electronic Structure Calculation 100%
• Density 100%