| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1523206 | Materials Chemistry and Physics | 2013 | 9 Pages |
Abstract
⺠We studied electronic and structural properties of bulk goethite and Al-rich goethite. ⺠The goethite is well described with the GGA + U level using the Ueff = 6 eV value. ⺠The Al-rich goethite model has different magnetic structures with similar energies. ⺠The isomorphic substitution of Fe by Al atom in goethite results in a lattice contraction.
Related Topics
Physical Sciences and Engineering
Materials Science
Electronic, Optical and Magnetic Materials
Authors
Silvia A. Fuente, Patricia G. Belelli, Norberto J. Castellani, Marcelo Avena,