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Journal articles
Long-range Coulomb interactions in surface systems: a first principles description within self-consistently combined GW and dynamical mean field theory
Abstract : 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-consistent combined GW and dynamical mean field theory ("GW+DMFT"). Calculated photoemission spectra are in agreement with available experimental data. We rationalize experimentally observed tendencies from Mott physics towards charge-ordering along the series as resulting from substantial long-range interactions.
Keywords :
cond-mat.str-el
Cited literature [36 references]
https://hal-cea.archives-ouvertes.fr/cea-01342181
Contributor : Emmanuelle de Laborderie <>
Submitted on : Tuesday, July 5, 2016 - 2:53:22 PM
Last modification on : Wednesday, April 14, 2021 - 12:12:22 PM
Long-term archiving on: : Thursday, October 6, 2016 - 12:50:16 PM
Contributor : Emmanuelle de Laborderie <>
Submitted on : Tuesday, July 5, 2016 - 2:53:22 PM
Last modification on : Wednesday, April 14, 2021 - 12:12:22 PM
Long-term archiving on: : Thursday, October 6, 2016 - 12:50:16 PM
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1301.4325v1.pdf
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