大规范组合中石墨烯吸附氦气过程中基底波纹的影响

IF 1.1 3区 物理与天体物理 Q4 PHYSICS, APPLIED
Gage Erwin, Adrian Del Maestro
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引用次数: 0

摘要

由于石墨烯波纹对低维系统中相应固相和奇异相的表现具有有趣的影响,石墨烯基底上的\({}^4\)He吸附一直是备受关注的话题。在本研究中,我们采用蠕虫算法量子蒙特卡罗来研究吸附在石墨烯基底上的氦,以探索大规范集合中的波纹效应。我们利用氦-氦相互作用的 Szalewicz 势和氦原子与碳原子之间各向同性相互作用的求和来构建氦-石墨烯势。我们采用不同的近似程度来实现平滑势、三个部分波纹势和一个完全自创的势,以测试波纹对第一层和第二层的影响。我们证明,在氦-石墨烯势垒中忽略波纹会导致第一层和第二层的有限尺寸效应。因此,在这种低维条件下模拟氦时,应使用完全波纹势。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Effects of Substrate Corrugation During Helium Adsorption on Graphene in the Grand Canonical Ensemble

Effects of Substrate Corrugation During Helium Adsorption on Graphene in the Grand Canonical Ensemble

Adsorption of \({}^4\)He on graphene substrates has been a topic of great interest due to the intriguing effects of graphene corrugation on the manifestation of commensurate solid and exotic phases in low-dimensional systems. In this study, we employ worm algorithm quantum Monte Carlo to study helium adsorbed on a graphene substrate to explore corrugation effects in the grand canonical ensemble. We utilized a Szalewicz potential for helium–helium interactions and a summation of isotropic interactions between helium and carbon atoms to construct a helium–graphene potential. We implement different levels of approximation to achieve a smooth potential, three partially corrugated potentials, and a fully ab initio potential to test the effects of corrugation on the first and second layers. We demonstrate that the omission of corrugation within the helium–graphene potential could lead to finite-size effects in both the first and second layers. Thus, a fully corrugated potential should be used when simulating helium in this low-dimensional regime.

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来源期刊
Journal of Low Temperature Physics
Journal of Low Temperature Physics 物理-物理:凝聚态物理
CiteScore
3.30
自引率
25.00%
发文量
245
审稿时长
1 months
期刊介绍: The Journal of Low Temperature Physics publishes original papers and review articles on all areas of low temperature physics and cryogenics, including theoretical and experimental contributions. Subject areas include: Quantum solids, liquids and gases; Superfluidity; Superconductivity; Condensed matter physics; Experimental techniques; The Journal encourages the submission of Rapid Communications and Special Issues.
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