Table 3.2: The bond lengths and the Keating energies for the relaxed B_5-model surface of Si{111}rt3*rt3-30-B, as determined by LEED, SXD, TEC, and Keating analyses.

Table 3.2: The bond lengths and the Keating energies for the relaxed B_5-model surface of Si{111}rt3*rt3-30-B, as determined by LEED, SXD, TEC, and Keating analyses.
The change in the Si-adatom positions for the SXD results has been chosen to be +0.300 Ang.
The unavailable parameters from the TEC study have been chosen to be 0.0 Ang.

Parameter LEED SXD TEC Keating

d_Si(0 )-B (2a) (Ang.) 2.317 2.217 2.217 2.042

d_Si(0 )-Si(1 ) 2.334 2.323 2.384 2.343

d_Si(1 )-Si(2a) 2.153 2.180 2.134 2.090

d_Si(1 )-Si(2b) 2.419 2.421 2.405 2.384

d_Si(2a)-B (3a) 2.190 2.000 2.040 2.052

d_Si(2b)-Si(3b) 2.400 2.410 2.350 2.355

d_Si(3a)-Si(4 ) 2.260 2.331 2.331 2.349

d_Si(3b)-Si(4 ) 2.350 2.360 2.350 2.351

Total Energy (eV) 1.350 1.129 0.966 0.885

Length Term 0.562 0.385 0.172 0.045

Angle Term 0.788 0.744 0.794 0.840

Parameter	LEED	SXD	TEC	Keating


d_Si(0 )-B (2a) (Ang.)	2.317	2.217	2.217	2.042
d_Si(0 )-Si(1 )	2.334	2.323	2.384	2.343
d_Si(1 )-Si(2a)	2.153	2.180	2.134	2.090
d_Si(1 )-Si(2b)	2.419	2.421	2.405	2.384
d_Si(2a)-B (3a)	2.190	2.000	2.040	2.052
d_Si(2b)-Si(3b)	2.400	2.410	2.350	2.355
d_Si(3a)-Si(4 )	2.260	2.331	2.331	2.349
d_Si(3b)-Si(4 )	2.350	2.360	2.350	2.351


Total Energy (eV)	1.350	1.129	0.966	0.885
Length Term	0.562	0.385	0.172	0.045
Angle Term	0.788	0.744	0.794	0.840

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Last Update: 6/21/96