Pressure and composition tuning of structural and electronic properties of the ternary chalcohalide Pb4SeBr6

Key Points

• Altering pressure leads to significant changes in the electronic properties of Pb4SeBr6, enhancing its conductivity.
• Structural properties of the ternary chalcohalide Pb4SeBr6 shift under composition tuning, indicating material adaptability.
• The analysis involved detailed examination of how different compositions affect both structural and electronic attributes.
• Increasing pressure not only affects the arrangement of atoms but also the overall electronic behavior, demonstrating material versatility.