A theoretical case study: the Sn/Ge(111)-(3 × 3) surface
- 13 December 1999
- journal article
- letter
- Published by IOP Publishing in Journal of Physics: Condensed Matter
- Vol. 12 (1) , L21-L27
- https://doi.org/10.1088/0953-8984/12/1/104
Abstract
We present a theoretical analysis of the Sn/Ge(111)-(3 × 3) surface. The (3 × 3) atomic structure is searched using a combination of local-orbital and plane-wave density functional methods. We find a ground state geometry that presents two different types of Sn adatoms whose vertical positions differ by ~0.3 Å. The electronic structure of the surface is analysed including electron correlation effects. The comparison with recent experimental studies, both on the atomic and electronic structure of this surface, gives a strong support to the structural model presented in this work.Keywords
This publication has 15 references indexed in Scilit:
- Dynamical Fluctuations as the Origin of a Surface Phase Transition inPhysical Review Letters, 1999
- First-Principles Investigations of the Atomic and Electronic Structure of Pb, Sn and Ge Adsorbed on the ${\rm Ge}(111)\mbox{-}(\sqrt{3}\times\sqrt{3})$ SurfaceSurface Review and Letters, 1998
- Strong Correlation Effects in the () Charge Density Wave Phase of Sn/Ge(111)Physical Review Letters, 1997
- Surface Charge Ordering Transition:Phase of Sn/Ge(111)Physical Review Letters, 1997
- Temperature and momentum dependence of the spectral function of the charge-density wave and of the normal α phase of Pb/Ge(111)Physical Review B, 1997
- Direct observation of a surface charge density waveNature, 1996
- Electronic structure approach for complex silicasPhysical Review B, 1995
- STM study of the structure and phases of Pb on Ge(111)Surface Science, 1993
- Ab initiomulticenter tight-binding model for molecular-dynamics simulations and other applications in covalent systemsPhysical Review B, 1989
- Adsorbate registry and subsurface relaxation of the reconstructionsSurface Science, 1987