NEUTRON SCATTERING AND LATTICE DYNAMICAL STUDIES OF THE HIGH-PRESSURE PHASE ICE (I)
Dong Shun-le (董顺乐)a, Wang Yan (王燕)b, Li Qi (李琪)a
a Department of Physics, Ocean University of Qingdao, Qingdao 266003, China; b Department of Physics, UMIST, P.O. Box 88, Manchester, M 60 1QD, United Kingdom
Abstract Lattice dynamical calculations of ice VIII have been carried out by using a slightly modified set of force constants obtained recently for ice Ih (Li J C and Ross D K 1993 Nature365 327). A weak interaction was introduced between the two interpenetrated sublattices in the ice VIII structure. The calculated results for H2O and D2O ice VIII are in reasonable agreement with the measured inelastic neutron scattering spectra. The eigenvectors of phonon modes in the range of translational and librational bands have been studied in order to understand the properties of the vibrational modes. It is found that the third peak at 26.7meV in the translation results from weak hydrogen bond interactions, and the first peak (14.7meV) is much higher than it is in ice Ih (～7.1meV), which is partially due to the interactions between the two sublattices.
Received: 14 February 2001
Revised: 23 April 2001
Accepted manuscript online:
Fund: Project supported by the National Natural Science Foundation of China (Grant No. 10144001).
Cite this article:
Dong Shun-le (董顺乐), Wang Yan (王燕), Li Qi (李琪) NEUTRON SCATTERING AND LATTICE DYNAMICAL STUDIES OF THE HIGH-PRESSURE PHASE ICE (I) 2001 Chinese Physics 10 951
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