Electron-Hole Shake-Up in Adsorption Systems : Halogens on Semiconductor Surfaces

概要

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In order to account for strong correlation effects, we have carried otrt a many body calculationof the electronic strtrcture of the Cl/81(100)-(2 x l) system. The orue-electron Green function isfound directly from its Lehmann representation in terms of N - 1 and N -f 1 electron states. Theseare obtained approxirnately by means of an iteration scheune (the lattice-configuration approach)whereby states with an increasing ntrrnber of electrora-hole pairs are stmccessively included. Thisapproach gives in a natural way the configtrrational composition of all the spectral features, whichallows following in detail the character of possible relaxation processes. The resulting density ofstates is in quantitative agreement with the photoeuaaission spectrtrm and describes qtralita,Livelythe desorption data of positive and negative Cl ions. It is found that most of the above spectralfeatvrres are dominated by a strong shake-up of electron-hole pairs which largely invalidates aone-electron picture. This is ultinaately traced to the (probably nonlinear) strbstrate response tothe strong disruption produced by the Cl atotns (of large electronegativity).
社団法人日本物理学会の論文
1997-04-15