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, Rami Qays Malik, Rami Qays Malik, Muhammad Usama Islam, Muhammad Usama Islam, Raza, Ali, Rasheed Ahmad Subhani, Rasheed Ahmad Subhani
• Format: Article
• Language: English
• Published: Elsevier 2023
• Subjects: T Technology (General)
• Online Access: http://eprints.uthm.edu.my/10192/1/J15421_08da9a803d0181cc4283a8ec5f7773e4.pdf; http://eprints.uthm.edu.my/10192/; https://doi.org/10.1016/j.cocom.2022.e00773
• Institution: Universiti Tun Hussein Onn Malaysia

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...