https://doi.org/10.1140/epjb/e2002-00365-8
Ab initio calculation of Electron Energy Loss spectra of clean and 1ML Fe-covered Ni(111)
1
Dipartimento di Fisica - Università di Roma, “Tor Vergata” and
Istituto Nazionale per la Fisica della Materia,
00133 Roma, Italy
2
Dipartimento di Fisica - Università dell'Aquila and Instituto Nazionale di Fisica della Materia, 67010 l'Aquila, Italy
Corresponding author: a patrizia.monachesi@roma2.infn.it
Received:
10
July
2002
Published online:
19
November
2002
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
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag, 2002
