3d-Transition Metals in Cubic and Hexagonal Silicon Carbide


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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.



Materials Science Forum (Volumes 483-485)

Edited by:

Dr. Roberta Nipoti, Antonella Poggi and Andrea Scorzoni




W.V.M. Machado et al., "3d-Transition Metals in Cubic and Hexagonal Silicon Carbide", Materials Science Forum, Vols. 483-485, pp. 531-534, 2005

Online since:

May 2005




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