Table 5.2: 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.

Table 5.2: 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.
The parameter increment is 0.002 Ang.

Parameter MTL-T_4-H_3 MTL-T_1-H_3 MTL-H_3-T_1

z_Au (Ang.) 1.77(0.37) 0.813 0.813

Delta z_Si(2a) -1.196 -0.032 -0.040

Delta r_Si(2a) - +0.446 +0.446

Delta z_Si(2b) +0.202 - -

Delta z_Si(3a) -1.082 +0.000 -0.002

Delta r_Si(3a) - +0.058 +0.022

Delta z_Si(3b) +0.164 - -

Delta z_Si(4a) -0.006 +0.000 +0.024

Delta r_Si(4a) +0.110 -0.046 -

Delta z_Si(4b) - - -0.012

d_Si-Au 2.39(59) 2.46(50) 2.46(50)

Total Energy (eV) 1.727 0.751 0.760

Length Term 0.608 0.019 0.026

Angle Term 1.119 0.732 0.734

Parameter	MTL-T_4-H_3	MTL-T_1-H_3	MTL-H_3-T_1


z_Au (Ang.)	1.77(0.37)	0.813	0.813
Delta z_Si(2a)	-1.196	-0.032	-0.040
Delta r_Si(2a)	-	+0.446	+0.446
Delta z_Si(2b)	+0.202	-	-
Delta z_Si(3a)	-1.082	+0.000	-0.002
Delta r_Si(3a)	-	+0.058	+0.022
Delta z_Si(3b)	+0.164	-	-
Delta z_Si(4a)	-0.006	+0.000	+0.024
Delta r_Si(4a)	+0.110	-0.046	-
Delta z_Si(4b)	-	-	-0.012
d_Si-Au	2.39(59)	2.46(50)	2.46(50)


Total Energy (eV)	1.727	0.751	0.760
Length Term	0.608	0.019	0.026
Angle Term	1.119	0.732	0.734

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Last Update: 6/21/96