next up previous contents
Next: Simple Molecules Up: Overlap Population as a Previous: NaCl Structure Crystals

Zincblende Structure Crystals

The bond modulus of a zincblende structure crystal may be calculated in a similar manner to the NaCl crystals. The relationship between the bulk and bond moduli in this case is

equation937

The results for the zincblende crystals studied are shown in Table gif.

 

Crystal tex2html_wrap_inline2870 B ( tex2html_wrap_inline2874 Pa) (ref [54]) tex2html_wrap_inline2591 (Å) k ( tex2html_wrap_inline2880 )
GaAs 0.65 7.54 2.45 512
SiC 0.83 22.5 1.88 1172
Si 0.87 9.8 2.35 638
Diamond 0.75 48.0 1.55 2062
Table: Mulliken overlap populations, bulk moduli, equilibrium bond lengths and bond moduli for a series of zincblende structure crystals.

 



Matthew Segall
Wed Sep 24 12:24:18 BST 1997