First-Principles Materials Study for Spintronics: MnAs and MnN
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| Format: | Artículo científico |
| Language: | en |
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Sociedade Brasileira de Física
2004
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| author | R. de Paiva |
| author_facet | R. de Paiva |
| contents | First-Principles Materials Study for Spintronics: MnAs and MnN R. de Paiva J. L. A. Alves R. A. Nogueira L. M. R. Scolfaro J. R. Leite Física, Astronomía y Matemáticas We report ab-initio all electrons density- functional calculations for the electronic structure of the compoundsMnAs and MnN, in the zinc-blende phase. They are potential materials for use in fabrication of new functionalsemiconductors taking advantage of the spin degree of freedom. The aim is the establishing of the semiconductorspin electronics (spintronics) as a practical technology [H. Ohno, Semiconductor Science and Technology17, 4 (2002).]. We compare results obtained using the theoretical approaches LDA (Local Density Approximation)and GGA (Generalized Gradient Approximation). The calculations are spin-polarized and we followthe evolution of the band structures as a function of lattice parameter. We compare also the evolution of thedensity of states of the majority-spins and of the minority-spins. We conclude that, depending on the latticeparameter, both materials may be half-metallic, therefore showing conduction by charge carriers of one spindirection exclusively: the majority- spin band is continuous, while the minority-spin has a gap. Both materialsreach a total magnetization of the order of 4 ¹B. MnN changes from paramagnetic to ferromagnetic with theincrease of the lattice parameter. 2004 artículo científico 0103-9733 https://www.redalyc.org/articulo.oa?id=46434407 en http://www.redalyc.org/revista.oa?id=464 Brazilian Journal of Physics application/pdf Sociedade Brasileira de Física Brazilian Journal of Physics (Brasil) Num.2B Vol.34 |
| format | Artículo científico |
| id | redalyc_46434407 |
| institution | Redalyc |
| language | en |
| publishDate | 2004 |
| publisher | Sociedade Brasileira de Física |
| spellingShingle | First-Principles Materials Study for Spintronics: MnAs and MnN R. de Paiva Física, Astronomía y Matemáticas First-Principles Materials Study for Spintronics: MnAs and MnN R. de Paiva J. L. A. Alves R. A. Nogueira L. M. R. Scolfaro J. R. Leite Física, Astronomía y Matemáticas We report ab-initio all electrons density- functional calculations for the electronic structure of the compoundsMnAs and MnN, in the zinc-blende phase. They are potential materials for use in fabrication of new functionalsemiconductors taking advantage of the spin degree of freedom. The aim is the establishing of the semiconductorspin electronics (spintronics) as a practical technology [H. Ohno, Semiconductor Science and Technology17, 4 (2002).]. We compare results obtained using the theoretical approaches LDA (Local Density Approximation)and GGA (Generalized Gradient Approximation). The calculations are spin-polarized and we followthe evolution of the band structures as a function of lattice parameter. We compare also the evolution of thedensity of states of the majority-spins and of the minority-spins. We conclude that, depending on the latticeparameter, both materials may be half-metallic, therefore showing conduction by charge carriers of one spindirection exclusively: the majority- spin band is continuous, while the minority-spin has a gap. Both materialsreach a total magnetization of the order of 4 ¹B. MnN changes from paramagnetic to ferromagnetic with theincrease of the lattice parameter. 2004 artículo científico 0103-9733 https://www.redalyc.org/articulo.oa?id=46434407 en http://www.redalyc.org/revista.oa?id=464 Brazilian Journal of Physics application/pdf Sociedade Brasileira de Física Brazilian Journal of Physics (Brasil) Num.2B Vol.34 |
| title | First-Principles Materials Study for Spintronics: MnAs and MnN |
| topic | Física, Astronomía y Matemáticas |
| url | https://www.redalyc.org/articulo.oa?id=46434407 |