BANDGAP ENGINEERING OF PbO/PbTiO3 FOR FERROELECTRIC PHOTOVOLTAICS BY INTERFACE EFFECT

Lijing Wei, Yinglong Wang, Li Guan and Jianxin Guo
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Lijing Wei: School of Information Engineering and Computer, Hebei Finance University, Baoding, Hebei 071051, P. R. China
Yinglong Wang: ��Department of Primary Education, Baoding Preschool Teachers College, Baoding, Hebei 071051, P. R. China‡Key Laboratory of High-Precision Computation and Application of Quantum Field Theory of Hebei Province, College of Physics Science and Technology, Hebei University, Baoding, Hebei 071002, P. R. China
Li Guan: ��Key Laboratory of High-Precision Computation and Application of Quantum Field Theory of Hebei Province, College of Physics Science and Technology, Hebei University, Baoding, Hebei 071002, P. R. China
Jianxin Guo: ��Key Laboratory of High-Precision Computation and Application of Quantum Field Theory of Hebei Province, College of Physics Science and Technology, Hebei University, Baoding, Hebei 071002, P. R. China

Surface Review and Letters (SRL), 2022, vol. 29, issue 08, 1-7

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 (P/PT)up1, 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.

Keywords: PbO/PbTiO3 interface; interphase; ferroelectric photovoltaic; optical absorption; bandgap (search for similar items in EconPapers)
Date: 2022
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DOI: 10.1142/S0218625X22501001

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