A proposed antiferroelectric structure for proton ordered ice Ih
Abstract
A new antiferroelectric structure for proton ordered ice Ih is proposed which has lower energy than the currently popular ferroelectric model. This new structure has eight molecules per unit cell and Pna21 space group symmetry. The nearest neighbor interactions are optimum consistent with the oxygen P63/mmc lattice.
- Publication:
-
Journal of Chemical Physics
- Pub Date:
- October 1984
- DOI:
- 10.1063/1.448101
- Bibcode:
- 1984JChPh..81.3741D
- Keywords:
-
- Antiferroelectricity;
- Ice;
- Molecular Structure;
- Neutron Diffraction;
- Oxygen;
- Protons;
- Solid-State Physics