Solids: Thermodynamics and Bonding

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· The sum has the form: Ln(1 + x) with x = 1, so that the total Coulomb energy of interaction between the reference ion and the lattice is:

Uc = - 2(e2/4πε0R)[ 1 -1/2 + 1/3 - 1/4 + - - - - ] = - 2(e2/4πε0R)[Ln2]

· This energy contribution is known as the Madelung energy and is dependent on the lattice geometry. For this one dimensional case
Uc = - (e2/4πε0R)α
where
a = Madelung Constant contains the effects of lattice geometry.
· The major repulsive contribution to the total binding energy is due to the Pauli Exclusion principle repulsion between the ion cores and is given by:
Vr(r) = (1/r12)
· This interaction potential is short-range and the sum can be made over nearest neighbors only