First-principles study of the phase competition, mechanical and piezoelectric properties of pseudo-binary (SiC) 1-x (AlN) x alloy

Key Points

• This research explores the phase competition and properties of SiC-AlN alloys to identify promising piezoelectric materials.
• Conducted first-principles calculations to evaluate phase stability and material properties.
• Analyzed the phase competition and mechanical characteristics of the alloy system.
• Investigated piezoelectric response in various compositions of the alloy.
• Identified optimal compositions with enhanced piezoelectric and mechanical properties.
• Demonstrated significant phase competition affecting material stability and performance.
• Highlighted key trends in how alloy composition influences the properties.