3d-Transition Metals in Cubic and Hexagonal Silicon Carbide
| Autor: | Wanda V. M. Machado, João F. Justo, Lucy V. C. Assali |
|---|---|
| Rok vydání: | 2005 |
| Předmět: |
Materials science
Condensed matter physics Spin states Mechanical Engineering Ab initio Context (language use) Charge (physics) Condensed Matter Physics Carbide chemistry.chemical_compound Transition metal chemistry Mechanics of Materials Computational chemistry Impurity Silicon carbide Condensed Matter::Strongly Correlated Electrons General Materials Science |
| Zdroj: | Materials Science Forum. :531-534 |
| ISSN: | 1662-9752 |
| DOI: | 10.4028/www.scientific.net/msf.483-485.531 |
| Popis: | The electronic and structural properties of isolated 3d-transition metal impurities in 3C, 4H, and 2H silicon carbide have been investigated bytotal energy ab initio methods. The stability, spin states and transition energies of substitutional (Si sub-lattice) Cr, Mn, and Fe impurities in several charge states were computed. Our results are discussed in the context of available experimental data. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|