Publication Date:
2012-07-24
Description:
Author(s): Chao Jiang, Kurt E. Sickafus, Christopher R. Stanek, Sven P. Rudin, and Blas P. Uberuaga We have performed first-principles density functional theory calculations to investigate the possible physical origins of the discrepancies between the existing theoretical and experimental studies on cation distribution in Mg X 2 O 4 ( X = Al, Ga, In) spinel oxides. We show that for MgGa 2 O 4 and MgIn 2 O 4 ,... [Phys. Rev. B 86, 024203] Published Mon Jul 23, 2012
Keywords:
Inhomogeneous, disordered, and partially ordered systems
Print ISSN:
1098-0121
Electronic ISSN:
1095-3795
Topics:
Physics
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