Final published version
Research output: Contribution to Journal/Magazine › Journal article › peer-review
| <mark>Journal publication date</mark> | 05/2010 |
|---|---|
| <mark>Journal</mark> | Journal of physics and chemistry of solids |
| Issue number | 5 |
| Volume | 71 |
| Number of pages | 4 |
| Pages (from-to) | 735-738 |
| Publication Status | Published |
| <mark>Original language</mark> | English |
Isovalent cation substitution into rocksalt oxides, MO, has been investigated using atomistic simulation. A strain related parameter, c, is established that relates the size of a substitutional cation to the host lattice ion for which it has been substituted. This has allowed us to identify relationships between solution energy, defect volume and a strain parameter, which are general for any rocksalt oxide host lattice and as such are predictive for any combination of a divalent cation and rocksalt host lattice. (C) 2010 Elsevier Ltd. All rights reserved.