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First-principles study on ferromagnetism in 4H-SiC codoped with Al and Mn

Abstract

The electronic structures and magnetic properties in 4H-SiC codoped with Al and Mn have been investigated systematically based on density functional theory. Our results show that 4H-SiC codoped with Al and Mn introduces spin-polarized hole states. The codoped system prefers the ferromagnetic state and the magnetization energy is larger than some of the known room-temperature diluted magnetic semiconductors (DMSs), which implies the high RT ferromagnetism for (Al, Mn): 4H-SiC can be expected. The ferromagnetic property is mainly attributed to the 3d orbitals of Mn. Besides that, the coupling of Mn-C-Mn also plays important roles in enhancing ferromagnetism in case with more than one Mn atoms. Our study explains the intrinsic factors inducing magnetism in 4H-SiC, which may provide promising approach of preparing DMSs.

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Publication details

The article was received on 12 Mar 2018, accepted on 04 May 2018 and first published on 07 May 2018


Article type: Paper
DOI: 10.1039/C8NJ01171K
Citation: New J. Chem., 2018, Accepted Manuscript
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    First-principles study on ferromagnetism in 4H-SiC codoped with Al and Mn

    L. Lin, L. Zhu, R. Zhao, J. Huang, H. Tao, Y. Xu and Z. zhang, New J. Chem., 2018, Accepted Manuscript , DOI: 10.1039/C8NJ01171K

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