Phys. Rev. B 62, 6904–6907 (2000)Modeling the c(4×2) reconstruction of β-SiC(001)Received 7 April 2000; published in the issue dated 15 September 2000 We perform ab initio plane-wave supercell geometry local-density approximation calculations on two candidate models of the c(4×2) reconstruction of the β-SiC(001) 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. © 2000 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevB.62.6904
DOI:
10.1103/PhysRevB.62.6904
PACS:
68.35.Bs
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