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arXiv 2603.19620cond-mat.str-elcond-mat.stat-mech
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高压冰相VII和X之间的连续交叉驱动单极屏蔽:一种模型研究

Continuous crossover between high-pressure ice phases VII and X driven by monopole screening: a model study

The University of Tokyo(东京大学);Hong Kong University of Science and Technology(香港科技大学)

Sena Watanabe, Yukitoshi Motome, Haruki Watanabe

AI总结:

研究通过经典自旋-1 Blume-Capel模型探讨高压冰VII和X相之间的连续交叉机制,揭示其拓扑性质与热力学行为。

摘要:

水冰的质子无序分子相(冰VII)和其超高压非分子相(冰X)具有相同的宏观晶体对称性(空间群Pn3m)。这提出了一个基本热力学问题:它们是分开的相还是通过连续交叉连接?通过有限温度相图研究,利用有效经典自旋-1 Blume-Capel模型在pyrochlore晶格上,证明冰VII和X之间的转变没有热力学奇点,其特征是非发散且不重合的比热和磁化率峰。这种连续交叉行为归因于氢键网络的拓扑脆弱性:热增殖的点状单极激发(违反冰规则)诱导德拜-休克尔屏蔽,破坏拓扑库仑相。相比之下,质子有序冰VIII相的破坏涉及自发对称破缺,仍为一级相变。研究结果提供了微观机制,解释了密集冰的宏观晶体对称性与其拓扑性质之间的关系。

英文摘要:

The proton-disordered molecular phase of water ice (ice-VII) and its ultrahigh-pressure non-molecular phase (ice-X) share identical macroscopic crystal symmetry (space group $Pn\bar{3}m$). This raises a fundamental thermodynamic question: are they distinct phases separated by a singularity, or are they adiabatically connected via a continuous crossover? To resolve this paradox, we investigate the finite-temperature phase diagram of high-pressure ices VII and X, as well as VIII, the proton-ordered phase that emerges at lower temperatures, using an effective classical spin-$1$ Blume-Capel model on the pyrochlore lattice. Through Monte Carlo simulations, we demonstrate that within this model, the transformation between the states corresponding to ice-VII and ice-X lacks a thermodynamic singularity, as characterized by non-divergent and non-coinciding peaks in the specific heat and susceptibility associated with the $S^z=0$ occupation. We attribute this continuous crossover behavior to the topological fragility of the hydrogen-bond network: the thermal proliferation of point-like monopole excitations (violations of the ice rules) induces Debye-Hückel screening of the emergent gauge field, destroying the topological Coulomb phase at any finite temperature. In contrast, the destruction of the proton-ordered ice-VIII phase involves spontaneous symmetry breaking and remains a first-order phase transition. Our findings provide a microscopic rationale that reconciles the macroscopic crystallographic symmetries of dense ice with its underlying topological properties.

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