Theoretical Studies of the Spin Hamiltonian Parameters for Fe⁰ and Mn^– in Silicon Center

Abstract:

The spin Hamiltonian parameters (g factors and the hyperfine structure constants) for the octahedral interstitial Fe⁰ and Mn in silicon are theoretically investigated using the perturbation formulas of these parameters for a 3d⁸ ion under octahedral environments based on the cluster approach. The theoretical results show good agreement with the experimental data, and the ligand contributions should be considered due to the strong covalency of the systems. The interstitial occupation of the above novel 3d⁸ impurities of rare valence states in silicon is discussed.

• Periodical: Advanced Materials Research (Volumes 634-638)
• Pages: 2518-2522
• DOI: https://doi.org/10.4028/www.scientific.net/AMR.634-638.2518
• Online since: January 2013
• Authors: Min Quan Kuang, Shao Yi Wu, Bo Tao Song, Xian Fen Hu
• Keywords: Crystal-Fields and Spin Hamiltonians, Electron Paramagnetic Resonance (EPR), Fe⁰, Mn^-, Silion

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