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|Title:||Stabilization of substitutional Mn in silicon-based semiconductors|
|Author:||Silva, Antônio J. R. da|
|Abstract:||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 x≥0.16 substitutional Mn in Ge-rich neighborhoods become more stable than interstitial Mn, which may allow the growth of Si-based diluted magnetic semiconductors.|
|Editor:||American Physical Society|
|Citation:||Physical Review B. American Physical Soc, v. 70, n. 19, 2004.|
|Appears in Collections:||IFGW - Artigos e Outros Documentos|
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