First-principles calculations to investigate structural, electronics, optical, and mechanical properties of Bi-based novel fluoroperovskites TBiF3 (T = Hg, Xe) for optoelectronic applications
Muhammad Usman, Jalil Ur Rehman, Muhammad Bilal Tahir, Abid Hussain, Hussein Alrobei, Meshal Alzaid, A. Dahshan
Topics & Concepts
Materials scienceBand gapBismuthPhononEnthalpyDirect and indirect band gapsDielectricCompressibilityBrittlenessOptoelectronicsThermodynamicsCondensed matter physicsComposite materialPhysicsMetallurgyHeusler alloys: electronic and magnetic propertiesThermal Expansion and Ionic ConductivityMicrowave Dielectric Ceramics Synthesis