Atomic geometry of the Ge(110)c(8 x 10) structure
Atomic geometry of the Ge(110)c(8 x 10) structure
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DOI：
10.1016/j.susc.2004.04.040
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发表时间：
2004-07-01
期刊：
影响因子：
1.9
通讯作者：
Ichikawa, T
中科院分区：
文献类型：
--
作者：
Ichikawa, T
根据实验获得的扫描隧道显微镜图像，提出了Ge(110)c(8×10)结构的一个新的结构模型，并与Gai等人以前提出的另一个模型一起，用从头算分子动力学程序FH198md进行了松弛。由我们的松弛模型的电子结构模拟的STM图像与由松弛的GAI模型模拟的STM图像相比，能够很好地解释实验STM图像的特征。这表明我们的模型是更好的，五元Ge吸附原子团簇起到了构建块的中心作用。讨论了c(8×10)结构的原子几何结构及其磁区边界。(C)2004爱思唯尔B.V.保留所有权利。
A new structural model for the Ge(1 10)c(8 x 10) structure was proposed in the present work, based on STM images experimentally obtained, and relaxed together with another model previously presented by Gai et al., using an ab initio molecular dynamics program FH198md. STM images simulated from electronic structure of our relaxed model could well explain features of experimental STM images in contrast to STM images from relaxed Gai model. This shows that our model is better and five-membered clusters of Ge adatoms play central role as building blocks. Some discussion is presented on the atomic geometry of the c(8 x 10) structure and its domain boundary. (C) 2004 Elsevier B.V. All rights reserved.