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首页> 外文期刊>Physical review >Dihydride Dimer Structures On The Si(100):h Surface Studied By Low-temperature Scanningrntunneling Microscopy
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Dihydride Dimer Structures On The Si(100):h Surface Studied By Low-temperature Scanningrntunneling Microscopy

机译：低温扫描隧道显微镜研究Si（100）：h表面上的二氢二聚体结构

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Surface reconstructions on the hydrogenated Si(100):H surface are observed and investigated by using a low-temperature (5 K) scanning tunneling microscope (STM). In addition to the well established 2 × 1 and 3 × 1 phases, linear structures extending over one to six silicon dimers along the same dimer row are observed. After a careful analysis of the corresponding STM topographies for both n-type and p-type doped silicon substrates, we conclude that these structures are dihydride dimers. This assignment is supported by ab initio density-functional calculations of the local density of states of dihydride structures of one or two dimers long. Furthermore, the calculation of the free-energy formation of our observed structure shows that their creation is closely linked with the hydrogenation process. These results demonstrate that the previous assignments of "split dimer" and "bow-tie" structures to dihydride dimers and dopant pairs, respectively, need to be reconsidered.
机译：通过使用低温（5 K）扫描隧道显微镜（STM）观察并研究了氢化的Si（100）：H表面的表面重构。除了已建立的2×1和3×1相以外，还观察到沿同一二聚体行在一到六个硅二聚体上延伸的线性结构。在对n型和p型掺杂硅衬底的相应STM形貌进行仔细分析之后，我们得出结论，这些结构是二氢二聚体。从头开始密度函数计算一或两个二聚体长的二氢结构的状态的局部密度可支持此分配。此外，对我们观察到的结构的自由能形成的计算表明，它们的产生与氢化过程密切相关。这些结果表明，需要分别考虑先前的“分裂二聚体”和“蝶形”结构分别对二氢二聚体和掺杂剂对的分配。

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