Table 5.1: The structural parameters for Si{111}rt3*rt3-30-Au, as determined by a Keating analysis, using several of the models described in the text.

Parameter HC T_4-T_1 H_3-T_1 MCT VT-T_1-T_4 MCT T_1-T_1-T_4
z_Au (Ang.) 1.295 2.411 2.411 2.151 0.174
Delta z_Si(1a) -0.050 -0.006 -0.002 -0.540 +0.000
Delta r_Si(1a) +0.226 -0.040 -0.038 - -
Delta z_Si(1b) - - - - +0.000
Delta z_Si(2a) -0.014 -0.106 +0.002 -0.026 +0.000
Delta r_Si(2a) -0.244 - +0.034 -0.180 +0.000
Delta z_Si(2b) - +0.046 - - -
Delta z_Si(3a) -0.002 -0.094 -0.002 -0.004 +0.000
Delta r_Si(3a) -0.006 - +0.004 -0.046 +0.000
Delta z_Si(3b) - +0.040 - - -
Delta z_Si(4a) -0.010 - +0.004 +0.000 +0.000
Delta r_Si(4a) - +0.028 - +0.036 +0.000
Delta z_Si(4b) +0.004 - -0.002 - -
d_Si-Au 2.477 2.475 2.475 2.456 2.574
Total Energy (eV) 1.904 0.054 0.071 0.789 0.558
Length Term 0.007 0.001 0.001 0.024 0.301
Angle Term 1.897 0.053 0.070 0.765 0.258

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Last Update: 6/21/96