Stabilization of substitutional Mn in silicon-based semiconductors

Article

关键词: III-V SEMICONDUCTORS;    METALS;    ENERGY;   

DOI  :  10.1103/PhysRevB.70.193205

来源: SCIE

【 摘 要 】

We systematically investigate, using ab initio density-functional theory calculations, the properties of interstitial and substitutional Mn in both Si and Ge, as well as in the Si1-xGex alloy. We show that volume effects are not the main reason Mn prefers to be a subsitutional impurity in pure Ge, and chemical effects, therefore, play an important role. Using realistic models of Si1-xGex, we show that for xgreater than or similar to0.16 substitutional Mn in Ge-rich neighborhoods become more stable than interstitial Mn, which may allow the growth of Si-based diluted magnetic semiconductors.

【 授权许可】

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