Atomic structure of the Ag/Ge(111)-(sq.rt.(3) x sq.rt.(3)) surface: From scanning tunneling microscopy observation to theoretical study.
Atomic structure of the Ag/Ge(111)-(sq.rt.(3) x sq.rt.(3)) surface: From scanning tunneling microscopy observation to theoretical study.
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Ag/Ge(111)-(sq.rt.(3) x sq.rt.(3))表面的原子结构：从扫描隧道显微镜观察到理论研究。
DOI：
10.1063/1.3268776
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发表时间：
2009
期刊：
影响因子：
--
通讯作者：
J.
中科院分区：
文献类型：
--
作者：
L. Chou;H. C. Wu;Y.;J.C. Jiang;C. Su;J.
用扫描隧道显微镜(STM)和密度泛函理论(DFT)方法研究了Ag/Ge(111)-(3)x(3))R30°表面的原子结构。我们的STM图像显示了一种不同于以前广泛接受的蜂窝链三角形(HCT)模型的结构。该结构类似于在Ag/Si(111)-(SQ.rt(3)x SQ.rt(3))R30度表面上发现的不等价三角形(IET)模型。该模型提出了两种不同大小的银三角，分别对应于STM图像中的亮点和暗点。在我们对Ag/Ge(111)-(SQ.rt.(3)xSQ.rt.(3))R30度的STM研究中，在100-473K的温度范围内很好地揭示了IET结构的可区分的六方图案。此外，密度泛函理论计算结果表明，IET结构比HCT模型在能量上更稳定，为0.20 eV。此外，本研究还发现了早期STM研究中未揭示的GE三角。
The atomic structure of the Ag/Ge(111)-(sq.rt.(3) x sq.rt.(3))R30 degrees surface is studied by scanning tunneling microscopy (STM) and the density functional theory (DFT) calculations. Our STM images have shown a structure which is different from the widely accepted honeycomb-chained-triangle (HCT) model before. The structure is similar to the inequivalent triangle (IET) model found for the Ag/Si(111)-(sq.rt.(3) x sq.rt(3))R30 degrees surface. This model proposed two types of silver triangles with different sizes in the unit cell, corresponding to the bright spots and the dark spots in the STM image. A distinguishable hexagonal pattern of the IET structure was well disclosed in the temperature range from 100 to 473 K in our STM studies for Ag/Ge(111)-(sq.rt.(3) x sq.rt.(3))R30 degrees. Furthermore, the result of the DFT calculations showed that the IET structure is 0.20 eV energetically more stable than the HCT model. Besides, the Ge triangles, which were not disclosed in earlier STM research, are found in this study.
光电子衍射研究Ag/Si(111)-(√<3>×√<3>)表面的相变
DOI：
--
发表时间：
2006
期刊：
Phys.Rev.B 73(19)
影响因子：
--
作者：
千代延 昭宏;et. al.;K.Sakamoto
通讯作者：
K.Sakamoto