Adsorption of Al on Si(100): A surface polymerization reaction
- 3 May 1993
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 70 (18), 2786-2789
- https://doi.org/10.1103/physrevlett.70.2786
Abstract
We study the adsorption of Al on the Si(100) surface by ab initio calculations for a complete range of coverages from an isolated Al adatom up to full surface coverage. Analysis of the energetics of adsorption and the mobility of Al adatoms reveals that the long, one-dimensional strings of Al dimers observed experimentally result from a sequence of reaction steps which can be classified as a surface polymerization. The calculated local density of states (LDOS) of the adsorbed Al row is compared with scanning tunneling microscopy images. The LDOS characteristic of the reaction sites which mediate the polymerization should be observable by scanning tunneling spectroscopy.Keywords
This publication has 20 references indexed in Scilit:
- Systematics of adsorption near a stepPhysical Review Letters, 1992
- Ab initiotheory of the Si(111)-(7×7) surface reconstruction: A challenge for massively parallel computationPhysical Review Letters, 1992
- Ab initiototal-energy calculations for extremely large systems: Application to the Takayanagi reconstruction of Si(111)Physical Review Letters, 1992
- Surface self-diffusion of Si on Si(001)Surface Science, 1992
- Tin-induced reconstructions of the Si(100) surfacePhysical Review B, 1991
- Aluminum on the Si(100) surface: Growth of the first monolayerPhysical Review B, 1991
- Evolution of the Si(100)-2×2-In reconstructionJournal of Vacuum Science & Technology A, 1991
- Theory of the oxygen-induced restructuring of Cu(110) and Cu(100) surfacesPhysical Review Letters, 1990
- Conjugate gradient minimization of the energy functional: A new method for electronic structure calculationPhysical Review B, 1989
- Unified Approach for Molecular Dynamics and Density-Functional TheoryPhysical Review Letters, 1985