Quantization of the electron wave vector in nanostructures: Counting k-states

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	Quantization of the electron wave vector in nanostructures: Counting k-states
	Rodary, G ; Sander, D ; Liu, H ; Zhao, H ; Niebergall, L ; Stepanyuk, VS ; Bruno, P ; Kirschner, J
刊名	PHYSICAL REVIEW B
	2007
卷号	75 期号:23
ISSN号	1098-0121
中文摘要	First-principles calculations of Cu(001) free-standing thin films have been performed to investigate the oscillatory quantum size effects exhibited in surface energy, work function, atomic relaxation, and adsorption energy of a cesium adsorbate. Quantum well states have been identified and clarified at particular k points corresponding to the stationary extrema in the bulk Brillouin zone, and are in good agreement with experimental observations. The calculated surface energetics and geometry relaxations clearly feature quantum oscillations as a function of the film thickness, with oscillation periods characterized by a superposition of long and short length scales. Furthermore, we have investigated Cs adsorption onto Cu(001) thin films as a function of the film thickness. Our systematically calculated results clearly show large-amplitude quantum oscillations in adsorption energetics, which may be used to tailor catalysis, chemical reactions, and other surface processes in nanostructured materials.
收录类别	SCI
公开日期	2013-09-24
内容类型	期刊论文
源URL	[http://ir.iphy.ac.cn/handle/311004/51631]
专题	物理研究所_物理所公开发表论文_物理所公开发表论文_期刊论文
推荐引用方式 GB/T 7714	Rodary, G,Sander, D,Liu, H,et al. Quantization of the electron wave vector in nanostructures: Counting k-states[J]. PHYSICAL REVIEW B,2007,75(23).
APA	Rodary, G.,Sander, D.,Liu, H.,Zhao, H.,Niebergall, L.,...&Kirschner, J.(2007).Quantization of the electron wave vector in nanostructures: Counting k-states.PHYSICAL REVIEW B,75(23).
MLA	Rodary, G,et al."Quantization of the electron wave vector in nanostructures: Counting k-states".PHYSICAL REVIEW B 75.23(2007).