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Low-temperature insulating phase of the Si(111)–7×7 surface

S. Modesti
•
P. M. Sheverdyaeva
•
P. Moras
altro
G. Profeta
2020
  • journal article

Periodico
PHYSICAL REVIEW. B
Abstract
We investigated the electronic structure of the Si(111)-7 x 7 surface below 20 K by scanning tunneling and photoemission spectroscopies and by density functional theory calculations. Previous experimental studies have questioned the ground state of this surface, which is expected to be metallic in a band picture because of the odd number of electrons per unit cell. Our differential conductance spectra instead show the opening of an energy gap at the Fermi level and a significant temperature dependence of the electronic properties, especially for the adatoms at the center of the unfaulted half of the unit cell. Complementary photoemission spectra with improved correction of the surface photovoltage shift corroborate the differential conductance data and demonstrate the absence of surface bands crossing the Fermi level at 17 K. These consistent experimental observations point to an insulating ground state and contradict the prediction of a metallic surface obtained by density functional theory in the generalized gradient approximation. The calculations indicate that this surface has or is near a magnetic instability, but remains metallic in the magnetic phases even including correlation effects at mean-field level. We discuss possible origins of the observed discrepancies between experiments and calculations.
DOI
10.1103/PhysRevB.102.035429
WOS
WOS:000550992900006
Archivio
https://hdl.handle.net/11368/3051698
info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85090125091
https://journals.aps.org/prb/abstract/10.1103/PhysRevB.102.035429
Diritti
open access
license:copyright editore
license uri:iris.pri02
Soggetti
  • metal-insulator trans...

  • electron correlation

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