Ferroelectricity in high-density H{sub 2}O ice
- CNRS, Laboratoire de Géologie de Lyon UMR5276, Ecole Normale Supérieure de Lyon, 46, alleé d’Italie, Université Claude-Bernard Lyon 1, Université de Lyon, 69364 Lyon cedex 07 (France)
The origin of longstanding anomalies in experimental studies of the dense solid phases of H{sub 2}O ices VII, VIII, and X is examined using a combination of first-principles theoretical methods. We find that a ferroelectric variant of ice VIII is energetically competitive with the established antiferroelectric form under pressure. The existence of domains of the ferroelectric form within anti-ferroelectric ice can explain previously observed splittings in x-ray diffraction data. The ferroelectric form is stabilized by density and is accompanied by the onset of spontaneous polarization. The presence of local electric fields triggers the preferential parallel orientation of the water molecules in the structure, which could be stabilized in bulk using new high-pressure techniques.
- OSTI ID:
- 22415614
- Journal Information:
- Journal of Chemical Physics, Vol. 142, Issue 13; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-9606
- Country of Publication:
- United States
- Language:
- English
Partially ordered state of ice XV
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journal | July 2016 |
Proton dynamics and the phase diagram of dense water ice
|
journal | June 2018 |
Erratum: Partially ordered state of ice XV
|
journal | August 2016 |
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