Theoretical analysis of the momentum-dependent loss function of bulk Ag

被引:20
作者
Alkauskas, A. [1 ,2 ]
Schneider, S. D. [1 ,2 ]
Sagmeister, S. [3 ]
Ambrosch-Draxl, C. [3 ]
Hebert, C. [1 ,2 ]
机构
[1] Ecole Polytech Fed Lausanne, Inderdisciplinary Ctr Electron Microscopy CIME, CH-1015 Lausanne, Switzerland
[2] Ecole Polytech Fed Lausanne, Inst Condensed Matter Phys, CH-1015 Lausanne, Switzerland
[3] Univ Leoben, Chair Atomist Modelling & Design Mat, A-8700 Leoben, Austria
关键词
Energy loss; Plasmons; Inter-band transitions; Momentum-dependence; Random phase approximation; Time-dependent density functional theory; Local-field effects; NOBLE-METALS; ELECTRONIC EXCITATIONS; PLASMON DISPERSION; SILVER; APPROXIMATION; MICROSCOPY;
D O I
10.1016/j.ultramic.2009.12.004
中图分类号
TH742 [显微镜];
学科分类号
摘要
We analyze the momentum-dependent loss function of bulk silver, calculated via the random-phase approximation and based on the band structure from semi-local density functional theory calculations. In the energy range of 0-55 eV the spectrum reveals the existence of seven well-pronounced peaks, in accordance with experiment. The two lowest of these are collective plasmon excitations, while the higher ones originate from inter-band transitions. Due to the different nature of those peaks, they display a different dependence on the momentum transfer q. While the plasmon peaks show an approximately quadratic q-dependence, the peaks caused by inter-band transitions are characterized by a much less pronounced dispersion. (C) 2009 Elsevier B.V. All rights reserved.
引用
收藏
页码:1081 / 1086
页数:6
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