Dimer Reconstruction of Diamond, Si, and Ge (001) Surfaces
- 13 February 1995
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 74 (7) , 1155-1158
- https://doi.org/10.1103/physrevlett.74.1155
Abstract
Ab initio calculations of structural and electronic properties of the C(001)-(2 × 1) diamond surface are reported and discussed in direct comparison with Si(001) and Ge(001). Our results strongly favor a symmetric dimer reconstruction of C(001)-(2 × 1) as opposed to an asymmetric dimer reconstruction of Si and Ge (001). The physical origin and quantitative nature of the dimer reconstructions are investigated systematically, and it is shown by analyzing chemical trends why Si(001) is the most subtle case for an unequivocal surface structure determination.Keywords
This publication has 28 references indexed in Scilit:
- Direct observation of an increase in buckled dimers on Si(001) at low temperaturePhysical Review Letters, 1992
- Self-consistent study of the electronic and structural properties of the clean Si(001)(2 × 1) surfaceApplied Surface Science, 1992
- Analysis of separable potentialsPhysical Review B, 1991
- Self-consistent surface electronic structure for semi-infinite semiconductors from scattering theoryPhysica B: Condensed Matter, 1991
- Hydrogen chemisorption and the structure of the diamond C(100)-(2 × 1) surfaceSurface Science, 1990
- Surfaces of siliconReports on Progress in Physics, 1987
- Si(001) Dimer Structure Observed with Scanning Tunneling MicroscopyPhysical Review Letters, 1985
- Ground State of the Electron Gas by a Stochastic MethodPhysical Review Letters, 1980
- Self-Consistent Equations Including Exchange and Correlation EffectsPhysical Review B, 1965
- Inhomogeneous Electron GasPhysical Review B, 1964