Conference paper

Publication year: 1997

Pages: 1393-1398

Journal: Berichte der Bunsengesellschaft für physikalische Chemie

Volume number: 101

Issue number: 9

ISSN: 0005-9021

Conference: Discussion Meeting on Solute Point Defect Interactions in Crystals

Publisher: Wiley

Abstract: 
The composition dependence of the conductivity of fluorite-related oxides (XOr)(x) (MO2)(1-x) (r = 1 for divalent and r = 3/2 for trivalent dopants X; M = Zr, Ce, Th) has been studied by Monte Carlo simulations. Three simple model potentials have been tested in order to investigate the dopant-vacancy interaction effects on the transport behaviour: nearest neighbour attraction, nearest neighbour repulsion and a barrier-type model potential based on the assumption of a reduced oxygen mobility in the neighbourhood of the dopants. Satisfactory agreement with experiment can be achieved only within the last approach. As shown by the numerical results, percolation theory is essential to relate the local interactions and the long range mobility of the oxygen ions.

Harvard Citation style: Meyer, M. and Nicoloso, N. (1997) MC-study of the anomalous conductivity of fluorite-type solid oxide solutions, Berichte der Bunsengesellschaft für physikalische Chemie, 101(9), pp. 1393-1398

APA Citation style: Meyer, M., & Nicoloso, N. (1997). MC-study of the anomalous conductivity of fluorite-type solid oxide solutions. Berichte der Bunsengesellschaft für physikalische Chemie. 101(9), 1393-1398.