生长在镉(0001)上的锡薄片的结构和电子特性

Ming-Xia Shi, Zuo Li, Da-Xiao Yang, Min-Long Tao, Kai Sun, Ji-Yong Yang, Jun-Zhong Wang
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引用次数: 0

摘要

我们利用低温扫描隧道显微镜(STM)和密度泛函理论(DFT)计算研究了镉(0001)上锡薄片的生长和电子特性。研究发现,第一层和第二层锡都是以 1 × 1 相称晶格外延生长的。扫描隧道显微镜(STS)测量表明,锡单层表现出金属特性。DFT 计算表明,第一层锡中的所有锡原子都占据了能量上可取的 hcp 空心位点。从镉(0001)转移到锡单层的电荷量非常小,这表明锡/镉(0001)的界面受弱范德华相互作用的支配。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Structural and electronic properties of Sn sheets grown on Cd(0001)

We investigate the growth and electronic properties of the Sn sheets on Cd(0001) with a low-temperature scanning tunneling microscopy (STM) and density functional theory (DFT) calculations. It is found that both the first and second layer of Sn reveal the epitaxial growth with a 1 × 1 commensurate lattice. Scanning tunneling microscopy (STS) measurements indicate the Sn monolayer exhibits a metallic behavior. DFT calculations indicate that all the Sn atoms in the first Sn layer occupy the energetically preferable hcp-hollow sites. Very small amount of charge is transferred from Cd(0001) to the Sn monolayer, indicating the interface of Sn/Cd(0001) is governed by the weak van der Waals interaction.

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