Table 3.7: The structural parameters and Keating energies for the relaxed T_4-model surfaces of Si{111}rt3*rt3-30-X, as determined by a Keating analysis.
The tetrahedral covalent radii for C, B, Si, Ge, Al, Ga, Sn, In, and Pb are 0.77, 0.88, 1.18, 1.22, 1.26, 1.26, 1.40, 1.44, and 1.46 Ang., respectively.

Parameter R_X=0.98 (Ang.) 1.08 1.18 1.28 1.38 1.48
d_X (0 )-Si(2a) (Ang.) 1.856 2.031 2.187 2.347 2.488 2.619
d_X (0 )-Si(1 ) 2.182 2.270 2.355 2.454 2.547 2.641
d_Si(1 )-Si(2a) 2.325 2.331 2.337 2.342 2.347 2.352
d_Si(1 )-Si(2b) 2.379 2.374 2.370 2.366 2.362 2.359
d_Si(2a)-Si(3a) 2.337 2.338 2.340 2.339 2.339 2.340
d_Si(2b)-Si(3b) 2.368 2.367 2.370 2.365 2.365 2.364
d_Si(3a)-Si(4 ) 2.343 2.343 2.342 2.344 2.344 2.344
d_Si(3b)-Si(4 ) 2.354 2.354 2.353 2.353 2.354 2.353
Total Energy (eV) 0.991 0.953 0.942 0.956 0.995 1.063
Bond Term 0.046 0.028 0.019 0.012 0.009 0.009
Angle Term 0.945 0.925 0.923 0.944 0.986 1.053

Back to the List of Tables

Last Update: 6/21/96