| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 7962247 | Computational Materials Science | 2012 | 7 Pages |
Abstract
⺠All electron B3LYP results for structural and electronic properties of 12 ternary compositions from Fe2O3, Cr2O3 and Al2O3. ⺠Effect of Al in the structural properties of the mixed oxides. ⺠Analysis of the electronic properties using band structure and density of states. ⺠Analysis on the charge transport properties from band structure of ternary compositions and a comparison to the pure Fe2O3.
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Authors
C.S. Praveen, V. Timon, M. Valant,