NEW HIGH-PRESSURE PHASE OF ICE

Authors
BENOIT M BERNASCONI M PARRINELLO M
Citation
M. Benoit et al., NEW HIGH-PRESSURE PHASE OF ICE, Physical review letters, 76(16), 1996, pp. 2934-2936
Citations number
25
Categorie Soggetti
Physics
Journal title
Physical review letters → ACNP
ISSN journal
00319007
Volume
76
Issue
16
Year of publication
1996
Pages
2934 - 2936
Database
ISI
SICI code
0031-9007(1996)76:16<2934:NHPOI>2.0.ZU;2-V
Abstract
Based on ab initio constant pressure molecular dynamics simulation, we predict a new phase transition in ice from ice X to a new phase (ice XI) at similar to 3 Mbar and room temperature. Ice XI preserves the sy mmetric hydrogen bond and is a wide gap insulator up to and beyond 7 M bar. This new phase is stable up to 2000 K at 4 Mbar, where the system shows large protonic diffusion.