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The values of important electronic properties such as IP, EA and Eg of a copolymer are

determined from the upper and lower edges of the valence and conduction band respectively
using the Koopmans’ theorem, i.e., from negative of the top of valence band and from negative
of the bottom of conduction band respectively. Using Gerschgorin’s theorem, it can be shown
that if αA , βA and αA , βA denote the conduction band and the valence band parameters of the
c c v v

low band gap component, say A, then the lower edge of the conduction band cannot be lower
than αA - 2 max ( βA , βAB ) and the upper edge of the valence band cannot be higher than αA +
c c c v

2 max ( βA , βAB ). βAB and βAB are the linking parameters between the two different
v v c v

components. The band edge values of αi - 2 βi and αi + 2 βi (i = A, B) can obviously be


c c v v

reached for sufficiently large m and n in the copolymer chain (AmBn)x. Furthermore, since the
band edges (for sufficiently long periodic chains) are a quasi- continuous function of m and n, it
must be possible by appropriate choice of m and n, to obtain any band gap values between those
of the two pure components.

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