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American Physical Society, Physical review B, 12(92)

DOI: 10.1103/physrevb.92.125201

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Hexagonal Rare-Earth Manganites as Promising Photovoltaics and Light Polarizers

Journal article published in 2015 by Xin Huang, Tula R. Paudel, Shuai Dong, Evgeny Y. Tsymbal
This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

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Abstract

Ferroelectric materials possess a spontaneous electric polarization and may be utilized in various technological applications ranging from nonvolatile memories to solar cells and light polarizers. Recently, hexagonal rare-earth manganites, h-RMnO3 (R is a rare-earth ion), have attracted considerable interest due to their intricate multiferroic properties and improper ferroelectricity characterized by a sizable remnant polarization and high Curie temperature. Here we demonstrate that these compounds can serve as very efficient photovoltaic materials and, in addition, possess remarkable optical anisotropy properties. Using first-principles methods based on density functional theory and considering h-TbMnO3 as a representative manganite, we predict a strong light absorption of this material in the solar spectrum range, resulting in a maximum light-to-electricity energy conversion efficiency of up to 33%. We also predict an extraordinary optical linear dichroism and linear birefringence properties of h-TbMnO3 in a broad range of optical frequencies. These results uncover the unexplored potential of hexagonal rare-earth manganites to serve as photovoltaics in solar cells and as absorptive and birefringent light polarizers.