In this work we perform a full ab initio density-functional theory calculation, within the embedding method, of the Auger spectra of atomic impurities both inside a metal bulk and just inside the solid surface and chemisorbed on it. We consider a Na atom on and in a jellium-Ag host. In particular, the Auger spectra of the electronic transitions KL1V and KL2,3V (core-core-valence) are worked out. The calculated profiles display features which are different for the same atom adsorbed on a metal and inside the same bulk material. Such specific features could help identifying the contribution to the measured;Auger signal only due to adsorbates
Bonini, N., Trioni, M., Brivio, G. (2001). Characteristic features of Auger spectra from adatoms on metals. PHYSICAL REVIEW. B, CONDENSED MATTER, 64(3), 0354241-0354247 [10.1103/PhysRevB.64.035424].
Characteristic features of Auger spectra from adatoms on metals
Brivio, G.
2001
Abstract
In this work we perform a full ab initio density-functional theory calculation, within the embedding method, of the Auger spectra of atomic impurities both inside a metal bulk and just inside the solid surface and chemisorbed on it. We consider a Na atom on and in a jellium-Ag host. In particular, the Auger spectra of the electronic transitions KL1V and KL2,3V (core-core-valence) are worked out. The calculated profiles display features which are different for the same atom adsorbed on a metal and inside the same bulk material. Such specific features could help identifying the contribution to the measured;Auger signal only due to adsorbatesI documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.