Table 3.9: The bond lengths and the Keating energies for the relaxed H_3-, T_4-, and B_5-model relaxed surfaces of Ge{11}rt3*rt3-30-Al and -B, as determined by a Keating analysis.
The B_5-model has the adsorbate (X) and Ge_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 )-Ge(2a) (Ang.) 3.24 2.35 2.30 2.88 1.69 2.10
d_X (0 )-Ge(1 ) 2.50 2.51 2.46 2.12 2.16 2.44
d_Ge(1 )-Ge(2a) 2.46 2.44 2.49 2.45 2.41 2.15
d_Ge(1 )-Ge(2b) - 2.47 2.47 - 2.49 2.49
d_Ge(2a)-Ge(3a) 2.46 2.44 2.49 2.45 2.43 2.11
d_Ge(2b)-Ge(3b) - 2.47 2.47 - 2.47 2.46
d_Ge(3a)-Ge(4a) 2.45 2.44 2.45 2.46 2.45 2.45
d_Ge(3a)-Ge(4b) 2.45 - - 2.45 - -
d_Ge(3b)-Ge(4a) - 2.45 2.46 - 2.46 2.45
d_Ge(4a)-Ge(5a) 2.46 2.45 2.45 2.47 2.45 2.45
d_Ge(4b)-Ge(5b) 2.44 - - 2.44 - -
Total Energy (eV) 1.084 1.119 1.180 1.056 1.292 1.075
Bond Term 0.005 0.018 0.023 0.012 0.110 0.067
Angle Term 1.079 1.100 1.157 1.043 1.182 1.008

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Last Update: 6/21/96