Density Functional Calculations of the Mechanical, Electronic and Dynamical Properties of Antiperovskite Ca<sub>3</sub>BO (B = Pb, Ge, Sn)
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1. Theoretical prediction of the mechanical, electronic, optical and thermodynamic properties of antiperovskites A3BO (A = K, Rb and B = Au, Br) using DFT scheme: new candidate for optoelectronic devices application;Journal of Computational Electronics;2024-08-10
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