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Origin of the moiré pattern in thin Bi films deposited on HOPG

机译:在HOPG上沉积的薄Bi膜中的莫尔纹图案的起源

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摘要

Thin Bi(110) films deposited on highly oriented pyrolytic graphite (HOPG) exhibit a pronounced moire pattern;here the origin of the moire pattern is investigated using scanning tunneling microscopy (STM) and spectroscopy(STS), high-resolution transmission electron microscopy (HR-TEM), and density functional theory (DFT). It isshown that the moire pattern forms only on islands which are misoriented by ∼30◦ with respect to the usualsubstrate symmetry direction. Two models of the moire pattern are presented: (i) a commensurate monolayerconstruction (CMC) for rectangular overlayer symmetry on hexagonal substrates and (ii) a qualitative modelbased on simple superposition of a Bi overlayer on graphene. The CMC model has previously been applied onlyto systems with pure hexagonal symmetry. Both models generate moire patterns with key parameters (period,angles of the pattern measured with respect to the main HOPG and Bi crystal directions) that are consistentwith the experimental results, but development of a fully predictive/quantitative model remains an outstandingchallenge. The electronic structure of the moire pattern is investigated using STS and DFT, and it is found thatthe local density of states (LDOS) is modulated by the moire pattern. These results are consistent with a picturein which a small distortion of Bi atomic positions at the film-substrate interface results in periodic modulation ofthe LDOS, hence allowing observation of the moire pattern in STM images.
机译:沉积在高度取向的热解石墨(HOPG)上的Bi(110)薄膜表现出明显的莫尔图案;此处的莫尔图案的起源使用扫描隧道显微镜(STM)和光谱仪(STS),高分辨率透射电子显微镜( HR-TEM)和密度泛函理论(DFT)。结果表明,莫尔条纹图案仅在相对于通常的基板对称方向错位约30°的岛上形成。提出了两种莫尔条纹模式的模型:(i)六角形基底上矩形覆盖层对称性的相称单层结构(CMC),以及(ii)基于石墨烯上Bi覆盖层简单叠加的定性模型。以前,CMC模型仅应用于具有纯六边形对称性的系统。两种模型都产生具有与实验结果一致的关键参数(周期,所测图案相对于主要HOPG和Bi晶体方向的角度)的莫尔图案,但是开发完全预测/定量模型仍然是一个突出的挑战。利用STS和DFT研究了莫尔图案的电子结构,发现莫尔图案调制了局部态密度(LDOS)。这些结果与Picturein相符,在Picturein中,膜-基底界面处Bi原子位置的微小变形会导致LDOS的周期性调制,因此可以观察STM图像中的莫尔条纹。

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