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◆ Materials Advances2025-12-01· Perovskite (structure)

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

原始摘要(英文原文)· Original 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.
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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 — 科研速览 Science Skim