3d-Transition Metals in Cubic and Hexagonal Silicon Carbide

Autor: Machado, W.V.M., Justo, João F., Assali, Lucy V.C.
Zdroj: Materials Science Forum; May 2005, Vol. 483 Issue: 1 p531-534, 4p
Abstrakt: 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: Supplemental Index