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"Madelung model" prediction for dependence of lattice parameter on nanocrystal size

Vasili Perebeinos·Siu-Wai Chan·Feng Zhang
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Abstract

The competition between the long range Coulomb attractive and the short range repulsive interaction in ionic nanocrystals creates an effective negative pressure, which causes the lattice parameter a to increase with decreasing nanoparticle size d. A simple ``Madelung model'' is used to predict the dependence of the lattice parameter for CeO2 and BaTiO3 on d, delta a/a = alpha/d, for alpha = 0.22 A and 0.18 A respectively. The model predictions are compared with experimental results.

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Vasili Perebeinos, Siu-Wai Chan, Feng Zhang. 2002-08-02. "Madelung model" prediction for dependence of lattice parameter on nanocrystal size. https://doi.org/10.1016/s0038-1098(02)00266-1

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