Is the ground-state structure of (KCl(KCNa noncubic orientational glass?
- 19 October 1987
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 59 (16) , 1837-1840
- https://doi.org/10.1103/physrevlett.59.1837
Abstract
Constant-pressure molecular dynamics has been used to study the mixed crystal (KCl(KCN. On cooling from the high-temperature cubic rotator phase, this system undergoes a transition to a ground-state monoclinic structure, with indication of an intermediate rhombohedral phase. At low temperature, the quadrupoles freeze into a state with disordered orientations, thus suggesting the formation of a noncubic orientational glass phase. The orientational freezing is accompanied by anomalous diffraction profiles.
Keywords
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