Abstract
It is critical to reduce the bandgap of a ferroelectric photovoltaic (FE-PV) material in order to get the optimal effect of FE-PV. The interface effect of PbO/PbTiO3 (P/PT) is used in this work to lower the bandgap of PbTiO3 via the addition of PbO. The bandgaps of (P/PT)down and [Formula: see text], which are two types of polarization structures, fall from 2.63 eV of pure PbTiO3 to 2.07 eV and 2.08 eV, respectively. Densities of states are calculated for pure PbO, pure PbTiO3, and P/PT to determine the reason of the bandgap drop. The results indicate that the PbO component of P/PT is critical for both the conduction band minimum (CBM) and valence band maximum (VBM) states. Calculations of the absorption coefficient indicate that P/PT absorbs more light over a wider range of wavelengths in the visible-light region than PbTiO3.
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