Ab initio simulations of cation ordering in oxides: application to spinel
At high temperature, MgAl 2O 4 spinel is stabilized by disorder of Mg and Al between octahedral and tetrahedral sites. Recent neutron experiments cover only a limited temperature range and are not sufficient to discriminate between analytic models, Ele...
| Main Authors: | , , |
|---|---|
| Format: | Journal article |
| Language: | English |
| Published: |
2000
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