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Ab initio calculation of Electron Energy Loss spectra of clean and 1ML Fe-covered Ni(111)

  • R. Capelli
  • P. Monachesi
  • R. Del Sole
  • G.C. Gazzadi

Abstract:

The dielectric and the loss functions of Ni(111) are calculated by the Full Potential Linear Muffin Tin Orbitals (FPLMTO) ab initio method whithin the three-layers model (vacuum/surface/bulk). Particular attention is devoted to determine surface and bulk state contributions to the spectra. Good agreement is found with recent experimental EELS data on the Fe-covered Ni(111) surface.

PACS. 71.28.+d Narrow-band systems; intermediate-valence solids – 71.20.-b Electron density of states and band structure of crystalline solids – 78.20.-e Optical properties of bulk materials and thin films 

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Copyright information

© EDP Sciences, Springer-Verlag 2002

Authors and Affiliations

  • R. Capelli
    • 1
  • P. Monachesi
    • 2
  • R. Del Sole
    • 1
  • G.C. Gazzadi
    • 2
  1. 1.Dipartimento di Fisica - Università di Roma, “Tor Vergata” and Istituto Nazionale per la Fisica della Materia, 00133 Roma, ItalyIT
  2. 2.Dipartimento di Fisica - Università dell'Aquila and Instituto Nazionale di Fisica della Materia, 67010 l'Aquila, ItalyIT

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