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Ag(110) 上五边形硅纳米带的未占据电子能带结构。

Unoccupied electronic band structure of pentagonal Si nanoribbons on Ag(110).

作者信息

Kleimeier Nils Fabian, Wenzel Gabi, Urban Adrian Joe, Tchalala Mohamed Rachid, Oughaddou Hamid, Dedkov Yuriy, Voloshina Elena, Zacharias Helmut

机构信息

Center for Soft Nanoscience, University of Münster, 48149 Münster, Germany.

出版信息

Phys Chem Chem Phys. 2019 Aug 28;21(32):17811-17820. doi: 10.1039/c9cp02239b. Epub 2019 Aug 2.

DOI:10.1039/c9cp02239b
PMID:31372603
Abstract

Silicon nanoribbons - one dimensional silicon structures with a pentagonal atomic structure and mixed sp- and sp-hybridisation - grow on Ag(110) upon deposition of silicon. These nanostructures are viewed as promising candidates for modern day electronics as they are comprised of the same element as today's semiconductor devices. Even though they have been studied extensively over the last decade, only little is known about their unoccupied band structure which is important for possible future optoelectronics, semiconductor, and spintronics applications. In order to elucidate the unoccupied band structure of the nanoribbons, k-resolved inverse photoemission spectroscopy (KRIPES) studies were performed on both nanoribbon structures reported in the literature as well as on the bare Ag(110) substrate within the energy range of E-E = 0-6.5 eV. The obtained experimental results are compared to density functional theory (DFT) calculated band structures to assign individual spectral features to specific bands. Since even small changes in the structural model of the nanoribbons lead to a change in the calculated band structure, this comparison allows us to assess the validity of the proposed structural models.

摘要

硅纳米带——一种具有五角形原子结构且 sp 和 sp 杂化混合的一维硅结构——在沉积硅时生长在 Ag(110) 上。这些纳米结构被视为现代电子学的有前途的候选材料,因为它们与当今的半导体器件由相同的元素组成。尽管在过去十年中对它们进行了广泛的研究,但对于它们的未占据能带结构却知之甚少,而这对于未来可能的光电子学、半导体和自旋电子学应用很重要。为了阐明纳米带的未占据能带结构,在 E - E = 0 - 6.5 eV 的能量范围内,对文献中报道的纳米带结构以及裸 Ag(110) 衬底进行了 k 分辨逆光电子能谱 (KRIPES) 研究。将获得的实验结果与密度泛函理论 (DFT) 计算的能带结构进行比较,以将各个光谱特征归因于特定能带。由于即使纳米带结构模型的微小变化也会导致计算出的能带结构发生变化,这种比较使我们能够评估所提出的结构模型的有效性。

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