Departamento de Física de Materiales, Facultad de Química, Universidad del País Vasco, San Sebastián, Basque Country, Spain.
J Phys Condens Matter. 2010 Aug 4;22(30):304013. doi: 10.1088/0953-8984/22/30/304013. Epub 2010 Jul 13.
The space-time evolution of the dynamical screening charge density caused by a suddenly created point charge at the Cu(111) surface is investigated in the linear response approximation. Considering a thin slab as a model for the Cu(111) surface, we investigate the confinement effects on dynamical screening as well. The results have been obtained on the basis of self-consistent evaluation of the energy-momentum-dependent response function, taking into account the realistic surface band structure of Cu(111). At the initial stage, we observe fast long-range charge density oscillations due to excitation of the surface plasmon modes. Then we observe the propagation of the shock wave of the electron-hole excitations along the slab with velocity determined by the Fermi velocity of bulk Cu. At longer times, we have identified the propagation along the two slab surfaces of a much slower (with velocity ∼ 0.3 au, close to the Fermi velocity of the Cu(111) surface state) charge disturbance due to acoustic surface plasmon. The role of the energy band gap in the direction perpendicular to the surface in establishing the screening is also addressed.
在本文中,我们在局域线性响应近似下研究了在 Cu(111) 表面上突然产生点电荷时动力学屏蔽电荷密度的时空演化。考虑到薄的表面层为 Cu(111) 表面的模型,我们还研究了动力学屏蔽的限制效应。这些结果是基于对能量动量相关的响应函数的自洽评估得到的,同时考虑了 Cu(111) 的实际表面能带结构。在初始阶段,我们观察到由于表面等离激元模式的激发而产生的快速远程电荷密度振荡。然后,我们观察到电子-空穴激发的冲击波沿着薄片传播,其速度由体 Cu 的费米速度决定。在更长的时间内,我们已经确定了由于声表面等离激元而沿薄片表面传播的速度较慢(速度约为 0.3 au,接近 Cu(111) 表面态的费米速度)的电荷干扰。我们还研究了垂直于表面的能带隙在建立屏蔽方面的作用。