生长在 Ag(111) 上的单层 Bi$_{1-x}$Sb$_x$

Javier D. Fuhr, J. Esteban Gayone, Hugo Ascolani
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摘要

在这项工作中,我们报告了在 Ag(111) 基质上生长出具有不同化学计量的单一混合 Bi$_{1-x}$Sb$_x$ 层的情况。通过低能电子衍射、扫描隧道显微镜和 X 射线光电子能谱实验以及基于密度泛函理论(DFT)的计算,我们对原子几何结构进行了深入研究。我们首先确定这两种纯体系(Bi/Ag(111) 和 Sb/Ag(111))表现出相似的行为:在覆盖率低于 1/3 ML 时,它们会形成具有 ($\sqrt{3}\times\sqrt{3}$)R30$^\circ$ 周期性的表面合金;而在覆盖率高达 2/3 ML 时,它们会发生脱合金转变。然后,我们建立了在 Ag(111) 上获得铋锑混合覆盖层的简单制备程序:必须先从完全被两种纯表面合金中的任何一种覆盖的表面开始,然后在其上沉积另一种元素。通过 DFT 计算得出的能量学说深入揭示了系统对形成该相的偏好,并预测了富铋非合金相的形成途径。所得到的铋锑混合相的横向原子排列与在 Ag(111) 上观察到的锑非合金相的原子排列非常相似,锑原子和铋原子无序分布,并呈现出明显的垂直波纹,有望产生相当大的拉什巴效应。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Single-layer of Bi$_{1-x}$Sb$_x$ grown on Ag(111)
In this work, we report the growth of a single mixed Bi$_{1-x}$Sb$_x$ layer, with diverse stoichiometries, on a Ag(111) substrate. The atomic geometry has been thoroughly investigated by low energy electron diffraction, scanning tunneling microscopy, and X-ray photoelectron spectroscopy experiments, as well as calculations based on density functional theory (DFT). We first determined that both pure systems (Bi/Ag(111) and Sb/Ag(111)) show similar behaviors: they form surface alloys with ($\sqrt{3}\times\sqrt{3}$)R30$^\circ$ periodicity for coverages lower than 1/3 ML, and undergo a dealloying transition for higher coverages up to 2/3 ML. We then established a simple preparation procedure to obtain a mixed Bi-Sb overlayer on Ag(111): it is essential to start with a surface completely covered by either of the two pure surface alloys and then deposit the other element on it. The energetics derived from DFT calculations provide insight into the systems preference towards the formation of this phase, and also predict a pathway to the formation of Bi-rich non-alloyed phases. The obtained mixed Bi-Sb phase has a lateral atomic arrangement very similar to the one in the non-alloyed phase observed for Sb on Ag(111), with Sb and Bi atoms distributed disorderly, and presents a significant vertical corrugation, promising considerable Rashba effects.
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