The phase diagram of high-pressure superionic ice

Sun, Jiming; Clark, Bryan K.; Torquato, Salvatore; Car, Roberto

doi:10.1038/ncomms9156

The phase diagram of high-pressure superionic ice

Journal Article · Fri Aug 28 00:00:00 EDT 2015 · Nature Communications

DOI:https://doi.org/10.1038/ncomms9156· OSTI ID:1455142

Sun, Jiming ^[1]; Clark, Bryan K. ^[2]; Torquato, Salvatore ^[3]; Car, Roberto ^[3]

Princeton Univ., NJ (United States). Dept. of Physics; Department of Physics, Princeton University, Princeton, New Jersey 08544
Univ. of Illinois, Urbana, IL (United States). Dept. of Physics
Princeton Univ., NJ (United States). Dept. of Physics. Dept. of Chemistry. Princeton Inst. for the Science and Technology of Materials

Superionic ice is a special group of ice phases at high temperature and pressure, which may exist in ice-rich planets and exoplanets. In superionic ice liquid hydrogen coexists with a crystalline oxygen sublattice. At high pressures, the properties of superionic ice are largely unknown. Here we report evidence that from 280 GPa to 1.3 TPa, there are several competing phases within the close-packed oxygen sublattice. At even higher pressure, the close-packed structure of the oxygen sublattice becomes unstable to a new unusual superionic phase in which the oxygen sublattice takes the P2₁/c symmetry. We also discover that higher pressure phases have lower transition temperatures. The diffusive hydrogen in the P2₁/c superionic phase shows strong anisotropic behaviour and forms a quasi-two-dimensional liquid. The ionic conductivity changes abruptly in the solid to close-packed superionic phase transition, but continuously in the solid to P2₁/c superionic phase transition.

View Accepted Manuscript (DOE)

Research Organization:: Princeton Univ., NJ (United States); Univ. of Illinois, Urbana, IL (United States)

Sponsoring Organization:: National Science Foundation (NSF) (United States); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Grant/Contract Number:: SC0005180; SC0008626; SC0008692

OSTI ID:: 1455142

Journal Information:: Nature Communications, Journal Name: Nature Communications Vol. 6; ISSN 2041-1723

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

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