Defect processes in MgAl2O4 spinel

Ball, J. A. and Murphy, S. T. and Grimes, R. W. and Bacorisen, D. and Smith, R. and Uberuaga, B. P. and Sickafus, K. E. (2008) Defect processes in MgAl2O4 spinel. Solid State Sciences, 10 (6). pp. 717-724. ISSN 1293-2558

Full text not available from this repository.

Abstract

In perfect normal MgAl2O4 spinel the Mg2+ ions occupy tetrahedral 8a sites and Al3+ ions occupy octahedral 16d sites. In reality some cations are exchanged between the cation sublattices forming pairs of antisite defects and thus a degree of "inversion". Here atomic simulation is used to investigate the influence that antisite defects have on the population's of other intrinsic defects, those associated with Schottky and Frenkel reactions. One consequence is that the total magnesium interstitial concentration is increased substantially over the aluminium interstitial concentration and the magnesium vacancy concentration is increased over the aluminium vacancy concentration but to a much smaller extent. The split structures of isolated interstitial defects and the stability of various defect clusters are also discussed. (c) 2007 Elsevier Masson SAS. All rights reserved.

Item Type:
Journal Article
Journal or Publication Title:
Solid State Sciences
Uncontrolled Keywords:
/dk/atira/pure/subjectarea/asjc/3100/3104
Subjects:
ID Code:
125442
Deposited By:
Deposited On:
24 May 2018 12:18
Refereed?:
Yes
Published?:
Published
Last Modified:
27 Oct 2020 08:06