Ab initio studies of the formation of a Y_1-xNi₂ superstructure with ordered Y vacancies

Keyphrases

• Total Energy Calculations 100%
• Ab Initio Study 100%
• Intermetallic Phases 50%
• Cubic Laves Phase 50%
• Laves Phase Structure 50%
• Diffraction Experiment 50%
• Stoichiometry 50%
• Phase Diagram 50%
• Structural Stability 50%
• Electronic Properties 50%
• Sublattice 50%
• Crystallographic Data 50%
• American Society 50%

Chemistry

• Superlattice 100%
• formation 100%
• Relaxation 40%
• Electronic Property 20%
• Reaction Stoichiometry 20%
• stability 20%
• Phase Diagrams 20%
• Laves Phase 20%
• Intermetallic Compound 20%

Material Science

• Superlattice 100%
• Intermetallic Compound 20%
• Phase Structure 20%
• Electronic Property 20%