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

@article{Hansmann2013LongrangeCI,
  title={Long-range Coulomb interactions in surface systems: a first-principles description within self-consistently combined GW and dynamical mean-field theory.},
  author={Philipp Hansmann and Thomas Ayral and Lo{\"i}g Vaugier and Ph Werner and Silke Biermann},
  journal={Physical review letters},
  year={2013},
  volume={110 16},
  pages={166401}
}
Systems of adatoms on semiconductor surfaces display competing ground states and exotic spectral properties typical of two-dimensional correlated electron materials which are dominated by a complex interplay of spin and charge degrees of freedom. We report a fully ab initio derivation of low-energy Hamiltonians for the adatom systems Si(111):X, with X=Sn, Si, C, Pb, that we solve within self-consistently combined GW and dynamical mean-field theory. Calculated photoemission spectra are in… CONTINUE READING

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