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Open access Sep 2026

Computational investigation of a perovskite LaBiO3 for photovoltaic, thermoelectric, and optoelectronic applications

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. · 0 citations

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