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