Consider the infinite series for the Madelung constant of the NaCl-type struc- ture. Its convergence depends on how the successive terms are chosen. The expression, as given below, is written such that the terms are sequential attrac- tive and repulsive interactions coming from sequential shells that purely contain cations or anions. Z₁ Z2e² 4Tend Uc 12 8 √2 √√3 √4 √5 6 24 + 24 √6 (1) a, Calculate the sum of this series for two, three, four, five, and six terms. For each successive shell, determine the total number of cations and anions sur- rounding the central anion. b, What can you say about the convergence of this series after 6 terms? c, Which of these successive sums is closest to the Madelung constant for the rocksalt structure of +1.7476? For which series is the total charge enclosed

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3 Madelung constant of NaCl
Consider the infinite series for the Madelung constant of the NaCl-type struc-
ture. Its convergence depends on how the successive terms are chosen. The
expression, as given below, is written such that the terms are sequential attrac-
tive and repulsive interactions coming from sequential shells that purely contain
cations or anions.
Uc
Z₁ Z2e²
4πend
(6-
12 8
+
√2 √3
6 24 24
+
√4 √5
(1)
a, Calculate the sum of this series for two, three, four, five, and six terms. For
each successive shell, determine the total number of cations and anions sur-
rounding the central anion.
b, What can you say about the convergence of this series after 6 terms?
c, Which of these successive sums is closest to the Madelung constant for the
rocksalt structure of +1.7476? For which series is the total charge enclosed
closest to zero?
d, What can be done to achieve a more rapid convergence of this series?
+
Transcribed Image Text:3 Madelung constant of NaCl Consider the infinite series for the Madelung constant of the NaCl-type struc- ture. Its convergence depends on how the successive terms are chosen. The expression, as given below, is written such that the terms are sequential attrac- tive and repulsive interactions coming from sequential shells that purely contain cations or anions. Uc Z₁ Z2e² 4πend (6- 12 8 + √2 √3 6 24 24 + √4 √5 (1) a, Calculate the sum of this series for two, three, four, five, and six terms. For each successive shell, determine the total number of cations and anions sur- rounding the central anion. b, What can you say about the convergence of this series after 6 terms? c, Which of these successive sums is closest to the Madelung constant for the rocksalt structure of +1.7476? For which series is the total charge enclosed closest to zero? d, What can be done to achieve a more rapid convergence of this series? +
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