Structural stability of YM₂ compounds (M = Al, Ni, Cu) studied by ab initio total-energy calculations and high-pressure x-ray diffraction

Keyphrases

• High-temperature X-ray Diffraction (HT-XRD) 100%
• Structural Stability 100%
• Al-Ni 100%
• Ab Initio Calculations 100%
• Nicu 100%
• Total Energy Calculations 100%
• Motivation 50%
• High Pressure 50%
• Pressure Dependence 50%
• Lattice Parameter 50%
• Orthorhombic 50%
• Cubic Laves Phase 50%
• Diffraction Experiment 50%
• Structural Phase Transition 50%
• Pressure-induced Structural Transition 50%
• Laves Compounds 50%
• 3d Transition Elements 50%
• Phase Stability 50%
• Neighboring Elements 50%
• Relative Stability 50%

Chemistry

• Hyperbarism 100%
• Ab Initio Calculation 66%
• Laves Phase 66%
• Lattice Parameter 33%
• Structural Phase Transition 33%
• Superlattice 33%
• Phase Stability 33%
• Transition Metal 33%
• Lattice Constant 33%

Material Science

• Ab Initio Calculation 100%
• Lattice Constant 50%
• Transition Metal 50%
• Superlattice 50%