A comparative DFT study of electronic and optical properties of Pb/ Cd-doped LaVO4 and Pb/Cd-LuVO4 for electronic device applications

• Main Authors: Jameel, Muhammad Hasnain, Agam, Mohd Arif, Roslan, Muhammad Sufi, Jabbar, Abdullah Hasan, Malik, Rami Qays, Islam, Muhammad Usama, Ali Raza, Ali Raza, Ahmad Subhani, Rasheed
• Format: Article
• Language: English
• Published: Elsevier 2023
• Subjects: T Technology (General)
• Online Access: http://eprints.uthm.edu.my/10407/1/J15421_08da9a803d0181cc4283a8ec5f7773e4.pdf; http://eprints.uthm.edu.my/10407/; https://doi.org/10.1016/j.cocom.2022.e00773

A First-principles study based on density functional theory was accomplished to examine the different properties of ABVO4 (A = Pb/Cd, B––La/Lu) materials such as structural, optical, and electronic properties. The band gap of Pb/Cd-doped LuVO4 is found to be remarkably and significantly decreased f...