Compositional tuning and property evolution in cubic Mg-based perovskite and anti-perovskite compounds (MgBO <sub>3</sub> and Mg <sub>3</sub> BO; B = Si, Ge, Sn, Pb): a comparative first-principles study for multifunctional device applications
M. Bellal Hossain, Mst. Shamima Khanom, Prianka Mondal, Akash Kumer Paul, Farid Ahmed
Abstract
This study presents a comprehensive and comparative first-principles analysis of cubic-phase perovskite (MgBO 3 ) and anti-perovskite (Mg 3 BO) compounds, where B = Si, Ge, Sn, Pb, with a focus on their physical properties.
Topics & Concepts
Perovskite (structure)Materials scienceProperty (philosophy)Focus (optics)CrystallographyNanotechnologySolid-stateChemical engineeringSolid solutionWork (physics)Microwave Dielectric Ceramics SynthesisThermal Expansion and Ionic ConductivityHeusler alloys: electronic and magnetic properties