Using density functional theory (DFT) with the ONCVVPSP pseudopotential and PBE functional, this study investigates the structural, electronic, elastic, optical, and thermoelectric properties of the trigonal LaBiO3 perovskite oxide (space group R3c). Ground-state parameters lattice constant, volume, bulk modulus, and i...
M. Woldemariam, N. Debelo, T. Tufa et al.· Condensed Matter Physics· 0 citations
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