First principles studies on the impact of point defects on the phase stability of (AlxCr1−x)2O3 solid solutions
Density Functional Theory applying the generalised gradient approximation is used to study the phase stability of (AlxCr1−x)2O3 solid solutions in the context of physical vapour deposition (PVD). Our results show that the energy of formation for the hexagonal α phase is lower than for the metastable...
| Main Authors: | , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2016-02-01
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| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/1.4941573 |