Higher order reconstructions of the Ge(001) surface induced by a Ba layer
Higher order reconstructions of the Ge(001) surface induced by a Ba layer
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DOI：
10.1016/j.apsusc.2017.11.058
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发表时间：
2018-03
影响因子：
6.7
通讯作者：
W. Koczorowski;T. Grzela;A. Puchalska;M. Radny;L. Jurczyszyn;S. R. Schofield;R. Czajka;N. Curson
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文献类型：
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作者：
W. Koczorowski;T. Grzela;A. Puchalska;M. Radny;L. Jurczyszyn;S. R. Schofield;R. Czajka;N. Curson
基于原子分辨率超高真空扫描隧道显微镜测量，讨论了Ge（001）表面Ba诱导重构的结构特性。结果表明，虽然Ba-Ge层，完全覆盖的表面，是由一个相位占主导地位的内部2 × 3周期性，它也包括部分高阶2 × 6和4 × 3表面重建，总是伴随着一维突起嵌入到主导相。用密度泛函理论计算的2 × 3相的基本单元模拟所观察到的高阶结构，结果表明能很好地再现实验数据。因此，高阶重建可以被视为占主导地位的2 × 3相位的局部缺陷。
Structural properties of Ba-induced reconstructions on a Ge(001) surface, based on atomic-resolution ultra high-vacuum scanning tunneling microscopy measurements, are discussed. It is shown that while the Ba - Ge layer, which fully covers the surface, is dominated by a phase with an internal 2 × 3 periodicity, it also includes portions of higher order 2 × 6 and 4 × 3 surface reconstructions, always accompanied by 1D protrusions embedded into the dominating phase. Modelling the observed higher order structures, using the elementary cell of the 2 × 3 phase calculated within the density functional theory, is shown to reproduce the experimental data very well. As such the higher order reconstructions can be treated as local defects of the dominating 2 × 3 phase.