Abstract
We perform ab initio plane-wave supercell geometry local-density approximation calculations on two candidate models of the reconstruction of the surface: the alternating up down dimer model, and the missing row asymmetric dimer (MRAD) model. Our results support the contention of Lu et al. [W. Lu, P. Krüger, and J. Pollmann, Phys. Rev. Lett. 81, 2292 (1998)], that the MRAD model is favored for all allowed values of chemical potential, and suggest a reinterpretation of previous experiments.
- Received 7 April 2000
DOI:https://doi.org/10.1103/PhysRevB.62.6904
©2000 American Physical Society