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首页> 外文期刊>Journal of Experimental and Theoretical Physics >Buckling of reconstruction elements of the edges of triple steps on vicinal Si(111) surfaces
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Buckling of reconstruction elements of the edges of triple steps on vicinal Si(111) surfaces

机译:Si(111)相邻表面上三重台阶边缘的重建元素的屈曲

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摘要

The structure of steps with a height of three (111) interplanar distances on vicinal Si(111) surfaces has been analyzed through density functional theory calculations. It has been shown that several stable atomic configurations are possible depending on the buckling of the reconstruction elements of edges of the steps on the surface. It has been found that the direction of the buckling of reconstruction elements in the ground state of the surface is determined by the Coulomb interaction with their nearest atomic environment.
机译:通过密度泛函理论计算,分析了相邻Si(111)表面上具有三(111)个晶面间距的台阶结构。已经表明,取决于表面上台阶的边缘的重构元件的屈曲,几种稳定的原子构型是可能的。已经发现,在表面的基态中,重构元件的屈曲方向由与它们最接近的原子环境的库仑相互作用确定。

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