Cui Dong-Meng

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The electronic structures of Mg2Si and Al, Cu doped Mg2Si have been calculated by first-principles pseudo-potential method. The calculated results show that Mg2Si is an indirect semiconductor with the band gap of 0.2994 eV, the valence bands of Mg2Si are composed of Si 3p, Mg 3s, 3p and the conduction bands are mainly composed of Mg 3s, 3p as well as Si 3p.(More)
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