Structural, electronic, and optical properties of AgGaP2Se6 under pressure: An ab initio study

Key Points

• Structural properties of AgGaP2Se6 significantly change under applied pressure, indicating potential for tuning material behavior.
• The electronic properties demonstrate a shift in bandgap values in response to pressure, which can affect conductivity.
• Optical properties are also altered, showing variations in absorption and refractive indices as pressure is increased.
• Such findings highlight how external pressure can be used to modify material characteristics, suggesting practical applications.