"Madelung model" prediction for dependence of lattice parameter on nanocrystal size
arXiv:cond-mat/0208048 · doi:10.1016/S0038-1098(02)00266-1
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.
5 pages, 2 figures