Abstract

The structural and vibration properties of the (√3 × √3)R30°–Cr adsorption structure on the Cu(111) surface and the Cu(111)–(√3 × √3)R30°–Cr two-dimensional alloy incorporated into the S – 1 substrate layer are studied using the tight binding approximation. Surface relaxation is discussed along with the dispersion of surface phonons and the local density of vibration states of adatoms and substrate atoms. It has been demonstrated that the presence of chromium atoms modifies the structural and vibration characteristics of the substrate and leads to the appearance of new phonon states in it. The analysis of the entire set of data has shown that the Cu(111)–(√3 × √3)R30°–Cr subsurface two-dimensional alloy is a more stable configuration.

中文翻译：

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Cu（111）–（√3×√3）R30°–Cr表面的原子弛豫和振动特性

摘要

（√3×√3）R30°–Cr吸附在Cu（111）表面的结构和振动特性以及Cu（111）–（√3×√3）R30°–Cr二维合金的结合使用紧密结合近似研究进入S – 1衬底层的Sb。讨论了表面弛豫以及表面声子的色散以及吸附原子和基质原子的振动状态的局部密度。已经证明铬原子的存在改变了基体的结构和振动特性，并导致其中出现新的声子态。对整套数据的分析表明，Cu（111）–（√3×√3）R30°–Cr次表面二维合金是更稳定的构型。