Fig. 2: Average structural investigations. | Nature Communications

Fig. 2: Average structural investigations.

From: Atomic reconfiguration among tri-state transition at ferroelectric/antiferroelectric phase boundaries in Pb(Zr,Ti)O3

Fig. 2

a, b In-situ neutron diffraction patterns of temperature-induced phase transitions of IP-AFE in PZTN98/2 and IP-FE in PZTN97/3, respectively. The patterns of IP are presented in red color. The Σ-type represents quadruple superlattice reflections while the R-type and M-type represent double superlattice reflections with characteristic indices of 1/2{ooo} and 1/2{ooe}, respectively. c‒e The behavior of Pb-cations displacement and oxygen octahedra tilts in AFE, IP and FE phase, respectively. The structural models are drawn based on the Rietveld refinement using Pc (taken at 80 °C of PZTN97/3), Pbam (taken at 20 °C), and R3c (taken at 20 °C). The projections of octahedra tilts in IP, AFE and FE phases are along [001]p, [1\(\bar{1}\)0]p and [110]p directions, respectively. The x, y, and z directions refer to pseudocubic cell.

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