Importance of charging in atomic resolution scanning tunneling microscopy:Study of a single phosphorus atom in a Si(001) surface
Importance of charging in atomic resolution scanning tunneling microscopy:Study of a single phosphorus atom in a Si(001) surface
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原子分辨率扫描隧道显微镜中充电的重要性：Si(001) 表面中单个磷原子的研究
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发表时间：
2006
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通讯作者：
M. Simmons
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作者：
M. Radny;Phillip V. Smith;T. Reusch;O. Warschkow;N. Marks;H. Wilson;N. Curson;S. R. Schofield;D. Mckenzie;M. Simmons
我们提出了一个详细的电压依赖扫描隧道显微镜研究的一个单一的磷原子在Si（001）表面。使用密度泛函理论计算，我们表明，尖端诱导充电的结果在可逆的结构和电子的变化。这些变化是由电荷从离域表面态转移到与磷原子的存在相关的局域态引起的。虽然预测了两种稳定的几何构型，但只有较高能量的构型与实验相符。
We present a detailed voltage-dependent scanning tunneling microscopy study of a single phosphorus atom in the Si(001) surface. Using density functional theory calculations we show that tip-induced charging results in reversible structural and electronic changes. These changes are caused by charge transfer from delocalized surface states to localized states associated with the presence of the phosphorus atom. While two stable geometric configurations are predicted, only the higher energy configuration is consistent with experiment.