Green's function calculations have been carried out on the N 1s XPS of a linear NiN2 cluster used as a model of the N2/Ni(100) system. A good agreement with the experimental spectra is obtained. A new method, based on exact effective Hamiltonians (EEH) is used for a detailed analysis of adsorbate core hole screening. Two lowest energy states in the spectrum, split by 1.47 eV are classified as π→π* shake-down satellites, whereas two states dominating the region of the so-called “giant satellite” are attributed to the main states. The EEH technique has disclosed a dominant role of dynamical screening in the formation of the strong shake-down satellites in the spectrum.
Strong dynamical screening in weak chemisorption systems
TARANTELLI, Francesco
1998
Abstract
Green's function calculations have been carried out on the N 1s XPS of a linear NiN2 cluster used as a model of the N2/Ni(100) system. A good agreement with the experimental spectra is obtained. A new method, based on exact effective Hamiltonians (EEH) is used for a detailed analysis of adsorbate core hole screening. Two lowest energy states in the spectrum, split by 1.47 eV are classified as π→π* shake-down satellites, whereas two states dominating the region of the so-called “giant satellite” are attributed to the main states. The EEH technique has disclosed a dominant role of dynamical screening in the formation of the strong shake-down satellites in the spectrum.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
