Zincblende Structure Crystals

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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

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

Crystal B ( Pa) (ref [54]) (Å) k ( )

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.

**Table:** Mulliken overlap populations, bulk moduli, equilibrium bond lengths and bond moduli for a series of zincblende structure crystals.
Crystal		B ( Pa) (ref [54])	(Å)	k ( )
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

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