Theoretical investigation of Hf and Zr defects in c-Ge
Contribuinte(s) |
UNIVERSIDADE DE SÃO PAULO |
---|---|
Data(s) |
20/10/2012
20/10/2012
2009
|
Resumo |
The introduction of high-permittivity gate dielectric materials into complementary metal oxide semiconductor technology has reopened the interest in Ge as a channel material mainly due to its high hole mobility. Since HfO(2) and ZrO(2) are two of the most promising dielectric candidates, it is important to investigate if Hf and Zr may diffuse into the Ge channel. Therefore, using ab initio density functional theory calculations, we have studied substitutional and interstitial Hf and Zr impurities in c-Ge, looking for neutral defects. We find that (i) substitutional Zr and Hf defects are energetically more favorable than interstitial defects; (ii) under oxygen-rich conditions, neither Zr nor Hf migration towards the channel is likely to occur; (iii) either under Hf- or Zr-rich conditions it is very likely, particularly for Zr, that defects will be incorporated in the channel. Brazilian agency FAPERJ[E26/170.374/2007] Fundação de Amparo à Pesquisa do Estado do Rio de Janeiro (FAPERJ) FAPESP Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP) CNPQ Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq) |
Identificador |
JOURNAL OF PHYSICS-CONDENSED MATTER, v.21, n.1, 2009 0953-8984 http://producao.usp.br/handle/BDPI/29413 10.1088/0953-8984/21/1/012206 |
Idioma(s) |
eng |
Publicador |
IOP PUBLISHING LTD |
Relação |
Journal of Physics-condensed Matter |
Direitos |
restrictedAccess Copyright IOP PUBLISHING LTD |
Palavras-Chave | #MOLECULAR-DYNAMICS #TRANSITION-METALS #SPECTROSCOPY #GERMANIUM #Physics, Condensed Matter |
Tipo |
article original article publishedVersion |