Jp. Gaspard et al., PEIERLS INSTABILITIES IN COVALENT STRUCTURES - I - ELECTRONIC-STRUCTURE, COHESION AND THE Z = 8-N RULE, Philosophical magazine. B. Physics of condensed matter.Statistical mechanics, electronic, optical and magnetic, 77(3), 1998, pp. 727-744
The Vast majority of the molecular, crystalline or liquid structures o
f groups V, VI and VII of the periodic table and their compounds obey
the octet rule (Z = 8 - N). The structure and stability of those struc
tures are discussed in a simple tight-binding approximation. In this f
ramework we show that the Peierls electronic instability of a simple c
ubic structure leads to the octet rule. This instability does not rely
upon the periodicity and consequently may occur in crystalline, amorp
hous or liquid matter. In a general discussion on the stability of cov
alent structures, we show that the existence of a Peierls distortion i
s governed by the balance between the attractive (band) term and the e
mpirical repulsive term. As the hardness of the latter increases when
going down the periodic table, this explains why the Peierls distortio
n is stronger for the light elements.