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• W2425492017 abstract "On the basis of first principle calculations, we show that a hexagonal structure of Fe2Si is a ferromagnetic crystal. The result of the phonon spectra indicates that it is a stable structure. Such material exhibits a spin-polarized and half-metal-like band structure. From the calculations of generalized gradient approximation, metallic and semiconducting behaviors are observed with a direct and nearly 0 eV band gap in various spin channels. The densities of states in the vicinity of the Fermi level is mainly contributed from the d-electrons of Fe. We calculate the reflection spectrum of Fe2Si, which has minima at 275nm and 3300nm with reflectance of 0.27 and 0.49, respectively. Such results may provide a reference for the search of hexagonal Fe2Si in experiments. With this band characteristic, the material may be applied in the field of novel spintronics devices." @default.
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• W2425492017 date "2016-06-01" @default.
• W2425492017 modified "2023-09-27" @default.
• W2425492017 title "The structure and electronic properties of hexagonal Fe2Si" @default.
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• W2425492017 doi "https://doi.org/10.1063/1.4954667" @default.
• W2425492017 hasPublicationYear "2016" @default.
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