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arXiv 2108.03547cond-mat.stat-mechphysics.comp-ph
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三角晶格上次近邻不相容的硬核格子气:一个还是两个相变?

Hard core lattice gas with third next-nearest neighbor exclusion on triangular lattice: one or two phase transitions?

Asweel Ahmed A. Jaleel, Dipanjan Mandal, R. Rajesh

摘要:

我们利用基于无排斥平坦直方图算法的蒙特卡罗模拟,得到了三角格子上具有第三近邻排斥的硬核格子气的相图.在最近的一篇论文[J. Chem. Phys. 151,104702(2019)]中,声称具有第三近邻排斥的格子气随着密度的增加经历两次相变,中间密度的相表现出具有连续变化指数的六阶。虽然六角相是预期的排斥范围大时,它还没有看到较早的硬核晶格气体与短程排斥。在本文中,通过数值计算确定所有密度的熵,我们明确地表明,只有一个单一的相变之间的低密度流体相和高密度有序的亚晶格相的系统,并没有六角相。过渡被证明是一阶的性质和临界参数被准确地确定。

英文摘要:

We obtain the phase diagram of the hard core lattice gas with third nearest neighbor exclusion on the triangular lattice using Monte Carlo simulations that are based on a rejection-free flat histogram algorithm. In a recent paper [J. Chem. Phys. 151, 104702 (2019)], it was claimed that the lattice gas with third nearest neighbor exclusion undergoes two phase transitions with increasing density, with the phase at intermediate densities exhibiting hexatic order with continuously varying exponents. Though a hexatic phase is expected when the exclusion range is large, it has not been seen earlier in hard core lattice gases with short range exclusion. In this paper, by numerically determining the entropies for all densities, we show unambiguously that there is only a single phase transition in the system between a low-density fluid phase and a high-density ordered sublattice phase, and that a hexatic phase is absent. The transition is shown to be first order in nature and the critical parameters are determined accurately.

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