Atomic and electronic basis for solutes strengthened (010) anti-phase boundary of L1₂ Co₃(Al, TM): A comprehensive first-principles study

Keyphrases

• Solute 100%
• First-principles Study 100%
• Solute Atoms 100%
• Antiphase Boundary 100%
• First-principles Calculations 50%
• Lattice Distortion 50%
• Bonding Strength 50%
• Strengthening Mechanism 50%
• High-resolution Transmission Electron Microscopy (HRTEM) 25%
• Electronic Structure 25%
• Phase Transformation 25%
• Magnetism 25%
• Crystalline Structure 25%
• Strong Dependence 25%
• Lattice Parameter 25%
• Formation Energy 25%
• Physical Nature 25%
• Volume Change 25%
• Theoretical Data 25%
• Chemical Bond 25%
• L12 Phase 25%
• FCC Lattice 25%
• Equilibrium Volume 25%
• Al Sites 25%
• Mo-Ni 25%
• Bonding Charge Density 25%
• Electron Redistribution 25%

Chemistry

• First Principle 100%
• Antiphase Boundary 100%
• Solid Solution 66%
• Phase Composition 33%
• Electronic State 33%
• Crystal Structure 33%
• Lattice Parameter 33%
• Charge Density 33%
• High-Resolution Transmission Electron Microscopy 33%
• Lattice Constant 33%

Material Science

• Density 50%
• Magnetism 50%
• High-Resolution Transmission Electron Microscopy 50%
• Lattice Constant 50%
• Chemical Bonding 50%