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      Circular Photogalvanic Effect in Organometal Halide Perovskite CH\(_3\)NH\(_3\)PbI\(_3\)

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          Abstract

          We study the circular photogalvanic effect in the organometal halide perovskite solar cell absorber CH\(_3\)NH\(_3\)PbI\(_3\). For crystal structures which lack inversion symmetry, the calculated photocurrent density is about \(10^{-9}\) A/W, comparable to the previously studied quantum well and bulk Rashba systems. Because of the dependence of the circular photogalvanic effect on inversion symmetry breaking, the degree of inversion asymmetry at different depths from the surface can be probed by tuning the photon energy and associated penetration depth. We propose that measurements of this effect may clarify the presence or absence of inversion symmetry, which remains a controversial issue and has been argued to play an important role in the high conversion efficiency of this material.

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          Revealing the role of organic cations in hybrid halide perovskites CH3NH3PbI3

          The hybrid halide perovskite CH\(_{3}\)NH\(_{3}\)PbI\(_{3}\) has enabled solar cells to reach an efficiency of about 18\%, demonstrating a pace for improvements with no precedents in the solar energy arena. Despite such explosive progress, the microscopic origin behind the success of such material is still debated, with the role played by the organic cations in the light-harvesting process remaining unclear. Here van-der-Waals-corrected density functional theory calculations reveal that the orientation of the organic molecules plays a fundamental role in determining the material electronic properties. For instance, if CH\(_{3}\)NH\(_{3}\) orients along a (011)-like direction, the PbI\(_{6}\) octahedral cage will distort and the band gap will become indirect. Our results suggest that molecular rotations, with the consequent dynamical change of the band structure, might be at the origin of the slow carrier recombination and the superior conversion efficiency of CH\(_{3}\)NH\(_{3}\)PbI\(_{3}\).
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            Author and article information

            Journal
            2016-07-06
            Article
            1607.01757
            a158875b-4eaa-4ce8-8429-ae2790414700

            http://arxiv.org/licenses/nonexclusive-distrib/1.0/

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            5 pages, 3 figures
            cond-mat.mtrl-sci

            Condensed matter
            Condensed matter

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