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• W2020163495 abstract "The origin of the n-type properties of Sn-doped Mg2Si was investigated using a first-principles method in the framework of the density-functional theory. Extensive effort was made to elaborate the effect of Sn doping and the interaction between the doped Sn with possible native defects in Mg2Si. Such interaction is pivotal for the improved electrical properties of Sn doped Mg2Si, so that the experimentally observed n-type conductivity is attributed to the presence of interstitial Mg in Sn-doped Mg2Si. The tendency for the presence of defects in Mg2Si is examined through detailed thermodynamic and kinetic analyses." @default.
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• W2020163495 date "2012-07-01" @default.
• W2020163495 modified "2023-10-13" @default.
• W2020163495 title "Origin of n-type conductivity of Sn-doped Mg2Si from first principles" @default.
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• W2020163495 doi "https://doi.org/10.1063/1.4733996" @default.
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