Paper Titles
Electron Paramagnetic Resonance of Shallow Phosphorous Centers in 4H- and 6H-SiC
p.515
Theoretical Investigations of Complexes of p-Type Dopants and Carbon Interstitial in SiC: Bistable, Negative-U Defects
p.519
Ab-Initio Study of Dopant Interstitials in 4H-SiC
p.523
Kinetic Aspects of the Interstitial-Mediated Boron Diffusion in SiC
p.527
3d-Transition Metals in Cubic and Hexagonal Silicon Carbide
p.531
Hydrogen-Saturated SiC-Surfaces: Model Systems for Studies of Passivation, Reconstruction and Interface Formation
p.535
First Principles Simulations of SiC-Based Interfaces
p.541
Surface Band Structure Studies of Si Rich Reconstructions on 4H-SiC(1-100)
p.547
Electrical Characterization of Defects in p-Type SiC Using Recombination Induced Conductivity Inversion
p.551

3d-Transition Metals in Cubic and Hexagonal Silicon Carbide

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Abstract:

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.

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Silicon Carbide and Related Materials 2004 View Preview

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Periodical:

Materials Science Forum (Volumes 483-485)

Pages:

531-534

DOI:

https://doi.org/10.4028/www.scientific.net/MSF.483-485.531

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Online since:

May 2005

Authors:

W.V.M. Machado, João F. Justo, Lucy V.C. Assali

Keywords:

Ab Initio Methods, Magnetic Impurities, Transition Metal

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© 2005 Trans Tech Publications Ltd. All Rights Reserved

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