Modeling the c(4X2) reconstruction of beta-SiC(001).
PHYS REV B
6904 - 6907.
We perform nb initio plane-wave supercell geometry local-density approximation calculations on two candidate models of the c(4 x 2) reconstruction of the beta-SiC(001) surface: the alternating up down dimer moder, and the missing row asymmetric dimer (MRAD) model. Our results support the contention of Lu et al. [W. Lu, P. Kruger, 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.
|Title:||Modeling the c(4X2) reconstruction of beta-SiC(001)|
|Keywords:||SURFACE RECONSTRUCTION, STRUCTURAL-ANALYSIS, SIC(001) SURFACE, BETA-SIC(100)-C(2X2)|
|UCL classification:||UCL > School of BEAMS > Faculty of Maths and Physical Sciences
UCL > School of BEAMS > Faculty of Maths and Physical Sciences > Chemistry
UCL > School of BEAMS > Faculty of Maths and Physical Sciences > Physics and Astronomy
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