Journal article

Long-Range coulomb interactions in surface systems: a first-Principles description within self-Consistently combined GW and dynamical mean-Field theory

  • Hansmann, P. Centre de Physique Théorique, Ecole Polytechnique, Palaiseau, France
  • Ayral, T. Centre de Physique Théorique, Ecole Polytechnique, Palaiseau, France - Institut de Physique Théorique (IPhT), CEA, CNRS, Gif-sur-Yvette, France
  • Vaugier, L. Centre de Physique Théorique, Ecole Polytechnique, Palaiseau, France
  • Werner, Philipp Department of Physics, University of Fribourg, Switzerland
  • Biermann, S. Centre de Physique Théorique, Ecole Polytechnique, Palaiseau, France - Japan Science and Technology Agency, Kawaguchi, Japan
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    16.04.2013
Published in:
  • Physical Review Letters. - 2013, vol. 110, no. 16, p. 166401
English 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 agreement with available experimental data. We rationalize experimentally observed trends from Mott physics toward charge ordering along the series as resulting from substantial long-range interactions.
Faculty
Faculté des sciences et de médecine
Department
Département de Physique
Language
  • English
Classification
Physics
License
License undefined
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Persistent URL
https://folia.unifr.ch/unifr/documents/303102
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