Dielectric properties of ice VII under the influence of time-alternating external electric fields

被引:1
作者
Futera, Zdenek [1 ]
English, Niall J. [2 ]
机构
[1] Univ South Bohemia, Fac Sci, Branisovska 1760, Ceske Budejovice 37005, Czech Republic
[2] Univ Coll Dublin, Sch Chem & Bioproc Engn, Dublin 4, Ireland
基金
爱尔兰科学基金会;
关键词
MOLECULAR-DYNAMICS; LIQUID WATER; PHASE-TRANSITIONS; DIFFUSION;
D O I
10.1039/d1cp04165g
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The high-pressure solid phase of water known as ice VII has recently attracted a lot of attention when its presence was detected in large exoplanets, their icy satellites, and even in Earth's mantle. Moreover, a transition of ice VII to the superionic phase can be triggered by external electric fields. Here, we investigate the dielectric responses of ice VII to applied oscillating electric fields of various frequencies employing non-equilibrium ab initio molecular dynamics. We focus on the dynamical properties of a dipole-ordered ice VII structure, for which we explored external-field-induced electronic polarisation and the vibrational spectral density of states (VDOS). These analyses are important for the understanding of collective motions in the ice-VII lattice and the electronic properties of this exotic water phase.
引用
收藏
页码:56 / 62
页数:8
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