Disordering of MgAl2O4 spinel from first principles
At high temperature, MgAl2O4 spinel is stabilized by disorder of Mg and Al between octahedral and tetrahedral sites. This behaviour has been measured up to 1700 K in recent neutron experiments, but the extrapolation of subsequently fitted thermodynamic models is not reliable. First principles simula...
| Main Authors: | , , |
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| Format: | Journal article |
| Language: | English |
| Published: |
2000
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