c(4 × 2) and related structural units on the SrTiO3(001) surface: scanning tunneling microscopy, density functional theory, and atomic structure.
نویسندگان
چکیده
Density functional theory is used to simulate high-bias, constant-current scanning tunneling micrographs for direct comparison with experimental images. Coupled to previous spectroscopic data, these simulations are used to determine the atomic structure of Ti-rich nanostructures on strontium titanate (001) surfaces. These nanostructures have three consecutive TiO(x) surface layers and exploit the distinctive structural motif of the c(4 × 2) reconstruction as their main building block. A structural model of a characteristic triline defect is also proposed.
منابع مشابه
The (2×2) reconstructions on the SrTiO3 (001) surface: A combined scanning tunneling microscopy and density functional theory study
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ورودعنوان ژورنال:
- The Journal of chemical physics
دوره 136 21 شماره
صفحات -
تاریخ انتشار 2012