DFT Insights on the Future Prospects of Ba2PrXO6 (X = Ir, Pt) Double Perovskites for High-Energy Applications
Journal of Inorganic and Organometallic Polymers and Materials(2024)
关键词
DFT,Double perovskites,Structural stability,Optoelectronic properties,Dynamical stability,Mechanical stability,Wien2K
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