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Type: Artigo de periódico
Title: Stabilization of substitutional Mn in silicon-based semiconductors
Author: da Silva, AJR
Fazzio, A
Antonelli, A
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 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.
Country: EUA
Editor: American Physical Soc
Rights: aberto
Identifier DOI: 10.1103/PhysRevB.70.193205
Date Issue: 2004
Appears in Collections:Artigos e Materiais de Revistas Científicas - Unicamp

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