以 Borophane 为基底吸附 He-4:跨越维度的旅程

Stefania De Palo, Saverio Moroni, Francesco Ancilotto, Pierluigi Silvestrelli, Luciano Reatto
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摘要

为了寻找吸附 He 原子的基质,以便在受限几何形状中实现新的量子相,我们对硼烷进行了研究。我们重点研究了硼烷的两种异构体:α-4H 和 Rect-2H。通过合适的密度函数理论,我们描述了 He 原子在这种晶体基底上的吸附势,发现了其波纹、优先吸附位点和位点间的能量势垒。矩形-2H硼烷尤其令人感兴趣,因为它的吸附势中存在脊,在基面的一个方向上能量势垒最低,而在正交方向上的能量势垒则高得多,从而形成了吸附原子的运动通道。我们使用 PathIntegral 蒙特卡洛模拟研究了 He-4 在 Rect-2H 硼烷上的吸附。在第一吸附层中,He-4 原子沿着通道分散,通道之间没有交换。这种强烈的各向异性也存在于 He-4 的最初几个附加吸附层中,其中存在有序区和无序区。在低温下的第二层和第五层,我们发现了模拟系统长度尺度上的超流动性。在第二层,沿沟槽的超流动是一维的。在第五层,在低覆盖率时,超流状态是强各向异性的二维超流,在层完成时过渡到各向异性的超流。从第六层开始,吸附的 He-4 薄膜向三维超流体演化。我们的主要预测是,以 2H 直硼烷为基底可以探测第二吸附层的一维超流体,以及第五层从二维各向异性超流体向各向同性超流体的演化,并最终在较高的覆盖率下出现三维超流体。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Borophane as substrate for adsorption of He-4: A journey across dimensionality
In search of substrates for adsorption of He atoms allowing for novel quantum phases in restricted geometry we study the case of borophane. We focus on two allotropes of borophane, alpha-4H and Rect-2H. With a suitable Density Functional Theory we characterize the adsorption potential of a He atom on such crystalline substrates finding its corrugation, the preferential adsorption sites and the energy barrier between sites. Rect-2H borophane is particularly interesting due to thepresence of ridges in the adsorption potential with modest energy barriers in one direction of the basal plane and much higher barrier in the orthogonal direction, thus forming channels for motion of the adsorbed atoms. We study the adsorption of He-4 on Rect-2H borophane using Path Integral Monte Carlo simulations. In the first adsorbed layer the He-4 atoms are rather delocalized along a channel with no exchanges between channels. This strong anisotropy is present also in the first few additional adsorption layers of He-4 with presence of ordered and of disordered regions. In the second and the fifth layers at low temperature we find superfluidity on the length scale of the simulated systems. In the second layer the superfluidity is one-dimensional along the grooves. In the fifth layer the state is a strongly anisotropic two-dimensional superfluid at low coverage, with a crossover to an isotropic one at layer completion. Starting from the sixth layer the adsorbed He-4 film evolves toward a three-dimensional superfluid. Our main prediction is that Rect-2H borophane as a substrate will allow to probe 1D superfluidity in the second absorption layer, as well as the evolution from a 2D anisotropic superfluid to an isotropic one in the fifth layer, and eventually the onset of 3D superfluidity for higher coverages.
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