First-principles calculation of the electron inelastic mean free path in Be metal

The Be electron inelastic mean free path (IMFP) is calculated by using the GW approximation of many-body theory. It is demonstrated that the inclusion of band structure effects significantly improves the agreement between the calculated and measured IMFP in the energy range up to ∼30eV. We show that...

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Detalles Bibliográficos
Autores: Silkin, Viatcheslav M., Chulkov, Eugene V., Echenique, Pedro M.
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2003
País:España
Institución:Consejo Superior de Investigaciones Científicas (CSIC)
Repositorio:DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:oai:digital.csic.es:10261/224772
Acceso en línea:http://hdl.handle.net/10261/224772
Access Level:acceso abierto
Descripción
Sumario:The Be electron inelastic mean free path (IMFP) is calculated by using the GW approximation of many-body theory. It is demonstrated that the inclusion of band structure effects significantly improves the agreement between the calculated and measured IMFP in the energy range up to ∼30eV. We show that the main effect results from the electron group velocity obtained from ab initio band structure calculations, whereas the evaluated linewidth averaged over momenta is not significantly affected with respect to the prediction of a free electron gas model. The comparison of the IMFP computed within two models, namely, the free electron gas model and the full band structure model, supports the idea of the importance of band structure effects for the description of electron transport in this metal for energies below 30 eV, and a nearly free-electron-like behavior for excitation energies above 30 eV. The calculated plasmon dispersion is in excellent agreement with available experimental data.