First principles studies on the impact of point defects on the phase stability of (AlxCr1−x)2O3 solid solutions

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...

Full description

Bibliographic Details
Main Authors: C. M. Koller, N. Koutná, J. Ramm, S. Kolozsvári, J. Paulitsch, D. Holec, P. H. Mayrhofer
Format: Article
Language:English
Published: AIP Publishing LLC 2016-02-01
Series:AIP Advances
Online Access:http://dx.doi.org/10.1063/1.4941573

Similar Items

Similar Items