Table 3.5: The bond lengths and the Keating energies for the H_3-, T_4-, and B_5-model relaxed surfaces of Si{11}rt3*rt3-30-Al and -B, as determined by a Keating analysis.
The B_5-model has the adsorbate (X) and Si_2a atoms interchanged.

Parameter H_3 T_4 B_5 H_3 T_4 B_5
- Al Al Al B B B
d_X (0 )-Si(2a) (Ang.) 3.151 2.348 2.229 2.787 1.677 2.042
d_X (0 )-Si(1 ) 2.445 2.454 2.363 2.069 2.100 2.343
d_Si(1 )-Si(2a) 2.356 2.342 2.429 2.351 2.318 2.090
d_Si(1 )-Si(2b) - 2.366 2.368 - 2.386 2.384
d_Si(2a)-Si(3a) 2.351 2.339 2.441 2.352 2.336 2.052
d_Si(2b)-Si(3b) - 2.365 2.370 - 2.369 2.355
d_Si(3a)-Si(4a) 2.354 2.344 2.343 2.356 2.343 2.349
d_Si(3a)-Si(4b) 2.347 - - 2.346 - -
d_Si(3b)-Si(4a) - 2.353 2.355 - 2.355 2.351
d_Si(4a)-Si(5a) 2.359 2.351 2.352 2.363 2.352 2.350
d_Si(4b)-Si(5b) 2.345 - - 2.343 - -
Total Energy (eV) 0.940 0.956 1.068 0.883 1.058 0.885
Bond Term 0.004 0.012 0.028 0.007 0.076 0.045
Angle Term 0.936 0.944 1.039 0.876 0.982 0.840

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Last Update: 6/21/96