Table 5.3: 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 5.3: 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_1-H_3 MTL-H_3-T_1 MTL-T_1-H_3 MTL-H_3-T_1

z_Au (Ang.) 0.829 0.821 0.495 0.495

Delta r_Au(0 ) +0.018 +0.020 +1.038 +1.178

Delta z_Si(2a) -0.030 -0.038 -0.124 -0.132

Delta r_Si(2a) +0.434 +0.434 -0.824 -0.824

Delta z_Si(3a) +0.000 -0.002 -0.018 +0.000

Delta r_Si(3a) +0.056 +0.022 -0.110 -0.032

Delta z_Si(4a) +0.000 +0.024 -0.002 -0.040

Delta r_Si(4a) -0.044 - +0.084 -

Delta z_Si(4b) - -0.012 - +0.018

d_Si-Au 2.46(50) 2.46(50) 2.48(52) 2.49(53)

Total Energy (eV) 0.725 0.734 1.001 1.089

Length Term 0.040 0.048 0.103 0.102

Angle Term 0.685 0.686 0.898 0.987

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


z_Au (Ang.)	0.829	0.821	0.495	0.495
Delta r_Au(0 )	+0.018	+0.020	+1.038	+1.178
Delta z_Si(2a)	-0.030	-0.038	-0.124	-0.132
Delta r_Si(2a)	+0.434	+0.434	-0.824	-0.824
Delta z_Si(3a)	+0.000	-0.002	-0.018	+0.000
Delta r_Si(3a)	+0.056	+0.022	-0.110	-0.032
Delta z_Si(4a)	+0.000	+0.024	-0.002	-0.040
Delta r_Si(4a)	-0.044	-	+0.084	-
Delta z_Si(4b)	-	-0.012	-	+0.018
d_Si-Au	2.46(50)	2.46(50)	2.48(52)	2.49(53)


Total Energy (eV)	0.725	0.734	1.001	1.089
Length Term	0.040	0.048	0.103	0.102
Angle Term	0.685	0.686	0.898	0.987

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Last Update: 6/21/96