PMID- 35649845
OWN - NLM
STAT- PubMed-not-MEDLINE
LR  - 20220601
IS  - 1089-7690 (Electronic)
IS  - 0021-9606 (Linking)
VI  - 156
IP  - 20
DP  - 2022 May 28
TI  - Mechanisms of the antiferro-electric ordering in superprotonic conductors 
      Cs(3)H(SeO(4))(2) and Cs(3)D(SeO(4))(2).
PG  - 204504
LID - 10.1063/5.0088230 [doi]
AB  - Wide ranges of absorbance spectra were measured to elucidate a difference in the 
      antiferro-electric (AF) ordering mechanisms below 50 and 168 K in 
      Cs(3)H(SeO(4))(2) and Cs(3)D(SeO(4))(2), respectively. Collective excitations due 
      to deuterons successfully observed at 610 cm(-1) exhibit a remarkable isotope 
      effect. This indicates that the transfer state in the dimer of Cs(3)D(SeO(4))(2) 
      is dominated by a deuteron hopping in contrast to Cs(3)H(SeO(4))(2), where a 
      proton hopping makes a tiny contribution compared to a phonon-assisted proton 
      tunneling (PAPT) associated with 440-cm(-1) def(bend) . The fluctuation relevant 
      to the AF ordering in Cs(3)D(SeO(4))(2) is not driven by the conventional 
      deuteron hopping but by the phonon-assisted deuteron hopping associated with 
      310-cm(-1) def(bend) . Consequently, Cs(3)D(SeO(4))(2) has a distinct ordering 
      mechanism from Cs(3)H(SeO(4))(2), in which quantum fluctuations toward the AF 
      ordering are enhanced through the PAPT associated with the in-phase libration.
FAU - Matsui, Hiroshi
AU  - Matsui H
AUID- ORCID: 0000-0002-7402-0755
AD  - Department of Physics, Graduate School of Science, Tohoku University, Sendai 
      980-8578, Japan.
FAU - Fukuda, Kakeru
AU  - Fukuda K
AD  - Department of Physics, Graduate School of Science, Tohoku University, Sendai 
      980-8578, Japan.
FAU - Takano, Saki
AU  - Takano S
AD  - Department of Physics, Graduate School of Science, Tohoku University, Sendai 
      980-8578, Japan.
FAU - Ikemoto, Yuka
AU  - Ikemoto Y
AUID- ORCID: 0000-0001-6266-0977
AD  - SPring-8, Japan Synchrotron Radiation Research Institute, Sayo, Hyogo 679-5198, 
      Japan.
FAU - Sasaki, Takahiko
AU  - Sasaki T
AUID- ORCID: 0000-0002-0767-5428
AD  - Institute for Materials Research, Tohoku University, Sendai 980-8577, Japan.
FAU - Matsuo, Yasumitsu
AU  - Matsuo Y
AUID- ORCID: 0000-0003-4971-9326
AD  - Faculty of Science and Engineering, Department of Life Science, Setsunan 
      University, Neyagawa 572-8508, Japan.
LA  - eng
PT  - Journal Article
PL  - United States
TA  - J Chem Phys
JT  - The Journal of chemical physics
JID - 0375360
SB  - IM
EDAT- 2022/06/02 06:00
MHDA- 2022/06/02 06:01
CRDT- 2022/06/01 22:03
PHST- 2022/06/01 22:03 [entrez]
PHST- 2022/06/02 06:00 [pubmed]
PHST- 2022/06/02 06:01 [medline]
AID - 10.1063/5.0088230 [doi]
PST - ppublish
SO  - J Chem Phys. 2022 May 28;156(20):204504. doi: 10.1063/5.0088230.