Fig. 4 Structural evolution and strongly anisotropic compression of (PEA)2PbI4 under pressure. Structural evolution and strongly anisotropic compression.

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Presentation transcript:

Fig. 4 Structural evolution and strongly anisotropic compression of (PEA)2PbI4 under pressure. Structural evolution and strongly anisotropic compression of (PEA)2PbI4 under pressure. All data are derived from XRD spectra and supported by first-principles calculation. (A) Synchrotron radiation XRD spectra of 2D perovskite under pressure. (B) Pressure dependence of unit cell volume. The volume change is represented in the form of V/V0, in which V0 is the initial volume at ambient pressure. The volume compression process is well fitted by Birch-Murnaghan equation. (C) Pressure dependence of the Pb─I bond length, which is slightly different in in-plane (<Pb─I>equatorial) and out-of-plane (<Pb─I>axial) directions. (D) Pressure dependence of unit cell parameters: a, b, and c. It is obvious that compression of c is visibly stronger than a and b, which are almost unchanged along pressure change. (E) Identical pressure dependence of a, b, and c is confirmed by first-principles calculation, which enhances the observation of anisotropic compression. Sheng Liu et al. Sci Adv 2019;5:eaav9445 Copyright © 2019 The Authors, some rights reserved; exclusive licensee American Association for the Advancement of Science. No claim to original U.S. Government Works. Distributed under a Creative Commons Attribution NonCommercial License 4.0 (CC BY-NC).