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Ferroelectric-Paraelectric Phase Transition of CsH2PO4 studied by Static NMR and MAS NMR

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The microscopic dynamics of CsH2PO4, with two distinct hydrogen bond lengths, are studied by static nuclear magnetic resonance (NMR) and magic angle spinning (MAS) NMR. The proton dynamics of the two crystallographically inequivalent hydrogen sites were discussed in terms of the 1H NMR and 1H MAS NMR spectra. Although the hydrogen bonds have two inequivalent sites, H(1) and H(2), distinct proton dynamics for the two sites were not found. Further, the 133Cs spectrum is more or less continuous near TC1 (=153 K). Finally, the phase transition mechanism of TC1 in CsH2PO4 is related to the ordering of protons.

Abstract

The microscopic dynamics of CsH2PO4, with two distinct hydrogen bond lengths, are studied by static nuclear magnetic resonance (NMR) and magic angle spinning (MAS) NMR. The proton dynamics of the two crystallographically inequivalent hydrogen sites were discussed in terms of the 1H NMR and 1H MAS NMR spectra. Although the hydrogen bonds have two inequivalent sites, H(1) and H(2), distinct proton dynamics for the two sites were not found. Further, the 133Cs spectrum is more or less continuous near TC1 (=153 K). Finally, the phase transition mechanism of TC1 in CsH2PO4 is related to the ordering of protons.

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