First-principles calculations of the dielectric properties of silicon nanostructures
First-principles calculations of the dielectric properties of silicon nanostructures
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硅纳米结构介电性能的第一性原理计算
DOI：
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发表时间：
2008
期刊：
影响因子：
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通讯作者：
D. Wack
中科院分区：
文献类型：
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作者：
S. Hamel;A. Williamson;H. Wilson;F. Gygi;G. Galli;E. Ratner;D. Wack
我们用第一性原理密度泛函理论计算了10nm以下的硅棒和硅板在长波极限下的静态介电性质。表面结构被认为是最重要的因素，影响的介电响应的变化在纳米尺度上，相比，体硅，具有显着的差异之间观察到类似的横向尺寸的平板和有限棒。
We have investigated the static dielectric properties of silicon rods and slabs below 10nm, in the long wavelength limit, by using first-principles density functional theory calculations. Surface structure is found to be the most important factor affecting the changes of the dielectric response at the nanoscale, compared to that of bulk Si, with significant differences observed between slabs and finite rods of similar lateral dimensions.