Ab initio calculation of electron energy loss spectra of clean and 1ML Fe-covered Ni(111)

The dielectric and the loss functions of Ni(111) are calculated by the Full Potential Linear Muffin Tin Orbitals (FPLMTO) ab initio method within 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.