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- W2019212623 abstract "Abstract The electronic structure and optical properties of Mg 2 Si for the epitaxial relationship Mg 2 Si (111)//Si (111) are calculated by using the first-principles pseudopotential method based on the density functional theory. The results show that Mg 2 Si is the most steady state when the lattice parameter a of the primitive cell is 0.4522 nm; Mg 2 Si is an indirect semiconductor with the band gap of 0.2261 eV; the valence bands of Mg 2 Si near the Fermi surface are composed of Si 3p, Mg 3s, 3p and the conduction bands are mainly composed of Mg 3s, 3p as well as Si 3p; the static dielectric function is 18.7369." @default.
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- W2019212623 date "2011-01-01" @default.
- W2019212623 modified "2023-10-18" @default.
- W2019212623 title "First-principles calculations on the electronic structure and optical properties of Mg2Si epitaxial on Si (111)" @default.
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- W2019212623 doi "https://doi.org/10.1016/j.phpro.2011.01.022" @default.
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