Phase stability and optoelectronic properties of antiperovskite derivatives A3BiX3 (A = Sr, Ba; X = Cl, Br): theoretical insights into composition and pressure effects

Key Points

• Antiperovskite derivatives exhibit diverse optoelectronic properties under varying pressures.
• Analysis shows significant changes in phase stability at specific compositions and pressure levels.
• The computational model explores how different anions and cations affect the material properties and stability.
• Implications highlight the potential for tailored materials in electronic applications, necessitating further studies.