Mechanical stability and high-pressure/high-temperature behavior of Sc2AC (A = Ga, Ge) MAX Phases: A first-principles study

Key Points

• Mechanical stability is confirmed for the Sc2AC phases under high-pressure conditions, demonstrating resilience.
• First-principles calculations estimate significant changes in structure and properties at elevated temperatures.
• The study employs a first-principles approach to evaluate the behavior of Sc2AC phases under varying high-pressure scenarios.
• Findings indicate potential applications in aerospace materials, highlighting the importance of mechanical stability.