Module 4 :  Solid State Chemistry
Lecture 20 : Band Theory of Solids
 

For butadiene, assuming and all s to be the same, the secular determinant becomes

 

(20.13)
and for N atomic orbitals in a linear chain, the secular determinant gets generalized to
 

(20.14)
The solutions for the above secular determinant are the large number of roots of E of eq 20.14. With some algebraic manipulations, they can be shown to be


E k = +2 cos (k /(N+1)), k = 1,2 ...N (20.15)
 
For large N, the energy difference between adjacent levels is very small as illustrated in fig 20.7
 
                   
 
                                                         Figure 20.7 Energy levels of eq (20.15) in a band
 
As N becomes very large, the energy difference between EN and E1 becomes
   
EN - E1 = 4 (20.16)
Although this section is sketchy and we have made many approximations (which need to be improved in real solids), we have an expression for the energy levels in a band).