New high T(c) multiferroics KBiFe₂O₅ with narrow band gap and promising photovoltaic effect.

Sci Rep

State Key Laboratory of Rare Earth Materials Chemistry and Applications, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, P.R. China.

Published: August 2013

Intrinsic polarization of ferroelectrics (FE) helps separate photon-generated charge carriers thus enhances photovoltaic effects. However, traditional FE with transition-metal cations (M) of d⁰ electron in MO₆ network typically has a band gap (E(g)) exceeding 3.0 eV. Although a smaller E(g) (2.6 eV) can be obtained in multiferroic BiFeO₃, the value is still too high for optimal solar energy applications. Computational "materials genome" searches have predicted several exotic MO₆ FE with E(g) < 2.0 eV, all thus far unconfirmed because of synthesis difficulties. Here we report a new FE compound with MO₄ tetrahedral network, KBiFe₂O₅, which features narrow E(g) (1.6 eV), high Curie temperature (T(c) ~ 780 K) and robust magnetic and photoelectric activities. The high photovoltage (8.8 V) and photocurrent density (15 μA/cm²) were obtained, which is comparable to the reported BiFeO₃. This finding may open a new avenue to discovering and designing optimal FE compounds for solar energy applications.

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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3569630PMC
http://dx.doi.org/10.1038/srep01265DOI Listing

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