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Tuning indirect to direct bandgaps in double perovskites

T. Thao Tran

Jessica Panella

Juan Chamorro

Jennifer Morey

Tyrel McQueen

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Presented at
253rd National Meeting (2017)

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Abstract


Two new isostructural double perovskites, Cs2AgSbCl6 and Cs2AgInCl6, have been synthesized and characterized. Cs2AgSbCl6 has an indirect band gap of 2.16 eV, while Cs2AgInCl6 possesses a direct bandgap of 3.29 eV. Cs2AgSbxIn1-xCl6 (x = 0.5, 0.4 and 0.2) solid solutions exhibit the transition from indirect to direct bandgaps at x = 0.4. Electronic structure calculations reveal that the transition from indirect to direct bandgaps is driven by an inversion of the unoccupied s- and p-states of Sb and In. These results open up an avenue for tuning the optical indirect to direct bandgaps in double perovskites based on less toxic elements and more air/moisture stable than hybrid lead halide perovskites. In addition, photoconductivity properties, temperature and wavelength dependence of structural and electronic properties have been performed and will be discussed.

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