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Systems of adatoms on semiconductor surfaces display competing ground statesand exotic spectral properties typical of two-dimensional correlated electronmaterials which are dominated by a complex interplay of spin and charge degreesof freedom. We report a fully ab initio derivation of low energy Hamiltoniansfor the adatom systems Si(111):X, with X=Sn, Si, C, Pb, that we solve withinself-consistent combined GW and dynamical mean field theory ("GW+DMFT").Calculated photoemission spectra are in agreement with available experimentaldata. We rationalize experimentally observed tendencies from Mott physicstowards charge-ordering along the series as resulting from substantiallong-range interactions.

physical review letters

Long-range Coulomb interactions in surface systems: a first principles  description within self-consistently combined GW and dynamical mean field  theory