اشترك بالحزمة الذهبية واحصل على وصول غير محدود شمرا أكاديميا
تسجيل مستخدم جديدFirst principles study of ferroelastic twins in halide perovskites
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We present an ab initio simulation of $90^{circ}$ ferroelastic twins that were recently observed in methyl ammonium lead iodide. There are two inequivalent types of $90^{circ}$ walls that we calculate to act as either electron or hole sinks which suggests a possible route to enhancing charge carrier separation in photovoltaic devices. Despite separating non-polar domains, we show these walls to have a substantial in-plane polarisation of $sim 6 phantom{|} mu text{C}phantom{|}text{cm}^{-2}$, due in part to flexoelectricity. We suggest this in turn could allow for the photoferroic effect and create efficient pathways for photocurrents within the wall.
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