Realistic modeling of the electronic structure and the effect of correlations for Sn/Si(111) and Sn/Ge(111) surfaces

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Erscheinungsjahr:
2010
Medientyp:
Text
Schlagworte:
  • Scanning tunneling microscopy
  • Spin
  • Orbits
  • Scanning Tunneling Microscopy
  • Density Functional Theory
  • Surfaces
  • Scanning tunneling microscopy
  • Spin
  • Orbits
  • Scanning Tunneling Microscopy
  • Density Functional Theory
  • Surfaces
Beschreibung:
  • The correlated electronic structure of the submonolayer surface systems Sn/Si(111) and Sn/Ge(111) is investigated by density-functional theory and its combination with explicit many-body methods. Namely, the dynamical mean-field theory and the slave-boson mean-field theory are utilized for the study of the intriguing interplay between structure, bonding, and electronic correlation. In this respect, explicit low-energy one- and four (s p2 -like)-band models are derived using maximally localized Wannier(-type) functions. In view of the possible low-dimensional magnetism in the Sn submonolayers we compare different types of magnetic orders and indeed find a 120° noncollinear ordering to be stable in the ground state. With single-site methods and cellular-cluster extensions the influence of a finite Hubbard U on the surface states in a planar and a reconstructed structural geometry is furthermore elaborated. © 2010 The American Physical Society.
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  • info:eu-repo/semantics/restrictedAccess
Quellsystem:
Forschungsinformationssystem der UHH
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oai:www.edit.fis.uni-hamburg.de:publications/342594af-1c83-4083-a157-3075c611fb8f