Regensburg 2016 – wissenschaftliches Programm
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CPP: Fachverband Chemische Physik und Polymerphysik
CPP 21: Hybrid and Perovskite Photovoltaics II (joint session CPP/DF/DS/HL, organized by CPP)
CPP 21.5: Vortrag
Dienstag, 8. März 2016, 12:00–12:15, H37
Tunable ferroelectric polarization and its interplay with spin-orbit coupling in tin iodide perovskite — Alessandro Stroppa1, •Domenico Di Sante2, Paolo Barone1, Menno Bokdam3, Georg Kresse3, Cesare Franchini3, Myung-Hwan Whangbo4, and Silvia Picozzi1 — 1CNR-SPIN L’aquila, Italy — 2CNR-SPIN L’aquila, Italy and Wuerzburg University — 3Faculty of Physics, Center for Computational Materials Science, University of Vienna, Wien, Austria — 4Department of Chemistry, North Carolina State University, USA
Ferroelectricity is a potentially crucial issue in halide perovskites, breakthrough materials in photovoltaic research. Using density functional theory simulations and symmetry analysis, we show that the lead-free perovskite iodide (FA)SnI3, containing the planar formamidinium cation FA, (NH2CHNH2)+, is ferroelectric. In fact, the perpendicular arrangment of FA planes, leading to a weak polarization, is energetically more stable than parallel arrangements of FA planes, being either antiferroelectric or strong ferroelectric. Moreover, we show that the weak and strong ferroelectric states with the polar axis along different crystallographic directions are energetically competing. Intriguingly, the relatively strong spin-orbit couling in noncentrosymmetric (FA)SnI3 gives rise to a co-existence of Rashba and Dresselhaus effects and to a spin texture that can be induced, tuned and switched by an electric field controlling the ferroelectric state.
A. Stroppa, D. Di Sante et al., Nature Commun. 5, 5900 (2014)