Unveiling the enhanced structural, elastic, mechanical, and optoelectronic properties of BaWO<sub>4</sub><i>via</i> oxygen vacancies and europium doping: a DFT + <i>U</i> insight into tailored energy applications
Shah Hussain, Raj Wali, Sikander Azam, Qaiser Rafiq, Mehak Nisar, Wilayat Khan, Y. Saeed, Muhammad Amin
Abstract
Eu doping and oxygen vacancies in BaWO 4 reduce the band gap and enhance optoelectronic properties. DFT + U calculations show improved absorption and dielectric response, making it a promising material for energy-efficient optical devices.
Topics & Concepts
EuropiumDopingMaterials scienceBand gapOxygenOptoelectronicsAbsorption (acoustics)DielectricLuminescenceChemistryComposite materialOrganic chemistryLuminescence Properties of Advanced MaterialsPerovskite Materials and ApplicationsMicrowave Dielectric Ceramics Synthesis