Madelung Constant
Assignment # 1
Submitted By: Muhammad Huzaifa Najeeb Reg # 2009-NUST-BE-MTL-74
QUESTION:
Calculate the Madelung constant for the two dimensional ionic lattice shown in the figure. Take into account the first five ( 5NN) neighboring lattice sites of the origin atom.
Hints: Use the same formula and procedure used for Nacl structure, Pythagoras theorem.
SOLUTION:
Considering a atom as positive the nearest atoms to the origin are 4 a atoms hence for first term Z = +1, n = 4, C = 1 The next nearest atoms are b which have negative charge hence for second term Z = -1, n = 4, C = 12 +12 = 2 The next nearest atoms are c which have positive charge hence for third term Z = +1, n = 4, C = 2 The next nearest atoms are d which have negative charge hence for fourth term Z = -1, n = 8, C = 22 +12 = 5 The next nearest atoms are e which have positive charge hence for fifth term Z = +1, n = 4, C = 22 +22 = 2 2 According to Madelung Constant Equation Substituting values we get
Solving the above equation provides result