Quantum size effects of Pb overlayers at high coverages.
We have studied Pb thin films as a function of the thickness up to 60 monolayers (MLs) using ab initio first principles and model calculations. Magic heights corresponding to a modulated oscillatory pattern of the energy of Pb(1 1 1) films have been measured up to about 30 MLs. We demonstrate that t...
| Autores: | , , |
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| Tipo de recurso: | artículo |
| Fecha de publicación: | 2007 |
| País: | España |
| Institución: | Universidad del País Vasco |
| Repositorio: | Addi. Archivo Digital para la Docencia y la Investigación |
| OAI Identifier: | oai:addi.ehu.eus:10810/65860 |
| Acceso en línea: | http://hdl.handle.net/10810/65860 |
| Access Level: | acceso abierto |
| Palabra clave: | Ab initio calculations Quantum wells Thin films Quantum size effects |
| Sumario: | We have studied Pb thin films as a function of the thickness up to 60 monolayers (MLs) using ab initio first principles and model calculations. Magic heights corresponding to a modulated oscillatory pattern of the energy of Pb(1 1 1) films have been measured up to about 30 MLs. We demonstrate that this behaviour continues even for higher thickness due to an extra second modulation pattern in the energetics of the metal film as a function of the number of atomic layers. The origin of this second modulation is the nesting of two close values of the Fermi wavelength in the (1 1 1) direction. |
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