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Electron-hole separation in ferroelectric oxides for efficient photovoltaic responses [Applied Physical Sciences]

Photovoltaics (PVs) benefitting from ferroelectric polarizations can overcome critical limitations of conventional type PVs. In this class, Bi2FeCrO6 is known to be the best-performing material; however, a fundamental understanding of the origin is lacking, which has limited further performance improvements. Here, we carried out a theoretical investigation of the electronic structure of this material. As a result, electron−hole ( e-h ) pairs are observed to separate upon photoexcitation, which can be a dominant underlying mechanism for the exceptional PV responses. Based on this understanding, we further suggest five novel materials that can offer a combination of strong e-h separations and visible-light absorptions. We expect the community of ferroelectric PVs to immediately benefit from the features of the new suggested materials.

Authors:   Donghoon Kim; Hyeon Han; June Ho Lee; Jin Woo Choi; Jeffrey C. Grossman; Hyun Myung Jang; Donghun Kim
Journal:   Proceedings of the National Academy of Sciences current issue
Volume:   115
edition:   26
Year:   2018
Pages:   6566
DOI:   10.1073/pnas.1721503115
Publication date:   26-Jun-2018
Facts, background information, dossiers
  • ferroelectric oxides
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