Ab initio calculations on the formation of La_1-xNi₂ compounds

Keyphrases

• Ab Initio Calculations 100%
• Enthalpy of Formation 100%
• Impurities 50%
• Tetragonal 50%
• Phase Diagram 50%
• Lanthanum 50%
• First-principles Calculations 50%
• LaNi3 50%

Chemistry

• Ab Initio Calculation 100%
• formation 100%
• Enthalpy of Formation 66%
• Relaxation 33%
• Superlattice 33%
• First Principle 33%
• Lanthanum 33%
• Phase Diagrams 33%