Table 3.1: The structural parameters for the relaxed B_5-model surface of Si{111}rt3*rt3-30-B, as determined by LEED, SXD, TEC, and Keating analyses.
The parameters Delta z and Delta r are the displacements of the atoms (B and Si) from the bulk-like positions, in the first, second, etc... layers.
NA indicates the parameter is unavailable.
* indicates the parameter was fixed.
The parameter increment for the TEC analysis is unavailable, and for the Keating analysis it is 0.001 Ang.


Parameter LEED SXD TEC Keating

- delta z = +-0.1 delta z = +-0.20 - -
- delta r = +-0.2 delta r = +-0.01. - -

Delta z_Si(0 ) +0.25 NA +0.28 +0.113
Delta z_Si(1 ) -0.30 -0.17 -0.30 -0.399
Delta r_Si(1 ) -0.30 -0.26 -0.26 -0.263
Delta z_B (2a) -0.50 -0.35* -0.37 -0.362
Delta z_Si(2b) +0.05 +0.06 NA +0.034
Delta z_Si(3a) -0.34 0* -0.06 -0.064
Delta z_Si(3b) 0 0* NA +0.029
Delta r_Si(4 ) 0 -0.02 NA +0.020


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Last Update: 6/21/96