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金属表面表面声子理论:最新进展。

Theory of surface phonons at metal surfaces: recent advances.

机构信息

Dipartimento di Scienza dei Materiali, Università di Milano-Bicocca, I-20125 Milano, Italy. Donostia International Physics Center (DIPC), E-20018 Donostia/San Sebastian, Spain. Max-Planck-Institut für Dynamik und Selbstorganization, D-37073 Göttingen, Germany.

出版信息

J Phys Condens Matter. 2010 Mar 5;22(8):084020. doi: 10.1088/0953-8984/22/8/084020.

Abstract

Recent studies of the surface dynamics of Al(001) and Cu(111) based on density functional perturbation theory have substantiated the existence of subsurface optical phonon resonances of all three polarizations, thus confirming early predictions of the embedded-atom method. The hybridization of the shear-vertical optical resonance with the longitudinal acoustic phonon branch accounts for the ubiquitous anomalous acoustic resonance as an intrinsic feature of metal surfaces. The DFPT calculation of the phonon-induced surface charge density oscillations shows that helium atom scattering spectroscopy (HAS) can indeed probe subsurface resonances. This opens new perspectives to HAS for the measurement of subsurface phonon dispersion curves in thin films, as proved by recent HAS studies on Pb and Fe ultrathin films on copper. After discussing these recent advances, this paper briefly reviews other important trends of surface dynamics expressed in recent years.

摘要

基于密度泛函微扰理论对 Al(001) 和 Cu(111) 表面动力学的近期研究证实了所有三种偏振的次表面光学声子共振的存在,从而证实了嵌入原子法的早期预测。剪切垂直光学共振与纵声学声子支之间的杂化解释了普遍存在的异常声学共振作为金属表面的固有特征。声子诱导表面电荷密度振荡的 DFPT 计算表明,氦原子散射光谱学 (HAS) 确实可以探测次表面共振。这为 HAS 测量薄膜中的次表面声子色散曲线开辟了新的视角,最近对铜上的 Pb 和 Fe 超薄薄膜的 HAS 研究证明了这一点。在讨论了这些最新进展之后,本文简要回顾了近年来以其他重要趋势表达的表面动力学。

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