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American Physical Society, Physical Review Letters, 2(96)

DOI: 10.1103/physrevlett.96.027211

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Half-Metallic Digital Ferromagnetic Heterostructure Composed of aδ-Doped Layer of Mn in Si

Journal article published in 2006 by M. C. Qian, C. Y. Fong, Kai Liu ORCID, W. E. Pickett, J. E. Pask, L. H. Yang
This paper is available in a repository.
This paper is available in a repository.

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Abstract

We propose and investigate the properties of a digital ferromagnetic heterostructure (DFH) consisting of a $δ$-doped layer of Mn in Si, using \textit{ab initio} electronic-structure methods. We find that (i) ferromagnetic order of the Mn layer is energetically favorable relative to antiferromagnetic, and (ii) the heterostructure is a two-dimensional half metallic system. The metallic behavior is contributed by three majority-spin bands originating from hybridized Mn-$d$ and nearest-neighbor Si-$p$ states, and the corresponding carriers are responsible for the ferromagnetic order in the Mn layer. The minority-spin channel has a calculated semiconducting gap of 0.25 eV. Analysis of the total and partial densities of states, band structure, Fermi surfaces and associated charge density reveals the marked two-dimensional nature of the half metallicity. The band lineup is found to be favorable for retaining the half metal character to near the Curie temperature ($T_{C}$). Being Si based and possibly having a high $T_{C}$ as suggested by an experiment on dilutely doped Mn in Si, the heterostructure may be of special interest for integration into mature Si technologies for spintronic applications. ; Comment: 4 pages, 4 figures, Revised version, to appear in Phys. Rev. Lett