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首页> 外文期刊>Bulletin of the American Physical Society >APS -2017 Annual Meeting of the APS Mid-Atlantic Section- Event - Impact of Large Thermal Motion on Critical Properties of Perovskite Photovoltaic Systems
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APS -2017 Annual Meeting of the APS Mid-Atlantic Section- Event - Impact of Large Thermal Motion on Critical Properties of Perovskite Photovoltaic Systems

机译：APS -2017年APS大西洋中部分会年会-事件-大热运动对钙钛矿光伏系统关键特性的影响

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摘要

To gain a fundamental understanding of their properties on an atomic level, we investigate single crystals of CH$_{mathrm{3}}$NH$_{mathrm{3}}$PbI$_{mathrm{3}}$ with a narrow transition (extasciitilde 5 K) near 327 K. We show that the ADPs for I ions yield extended flat regions in the potential wells consistent with the measured large thermal expansion parameter. We also show that the intrinsically enhanced freedom of motion of the iodine atoms enables large deformations. This flexibility (softness) of the atomic structure results in highly localized atomic relaxation about defects and hence accounts for both the high carrier mobility as well as the structural instability.
机译：为了从原子水平上基本了解它们的性质，我们研究了CH $ _ {mathrm {3}} $ NH $ _ {mathrm {3}} $ PbI $ _ {mathrm {3}} $的单晶，接近327 K的窄过渡区（extasciitilde 5 K）。我们显示，用于I离子的ADP在势阱中产生的扩展平坦区域与测得的大热膨胀参数一致。我们还表明，本质上增强的碘原子运动自由度使大变形成为可能。原子结构的这种柔韧性（柔软性）会导致缺陷周围的原子局部高度弛豫，因此会导致高载流子迁移率以及结构不稳定性。

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