Vibrational properties of elemental hydrogen centres in Si, Ge and dilute SiGe alloys

A. Balsas*, V. J. B. Torres, J. Coutinho, R. Jones, B. Hourahine, P. R. Briddon, M. Barroso

*Autor correspondente para este trabalho

Resultado de pesquisarevisão de pares

15 Citações (Scopus)

Resumo

The local vibrational modes arising from single interstitial hydrogen centres in Si, Si-rich SiGe, Ge-rich SiGe, and Ge crystals are modelled by an ab initio supercell method. The stress response of the 1998 and 1794 cm -1 bands that appear in proton-implanted Si and Ge samples is well reproduced, further confirming their assignment to bond-centred H+ defects. It is shown that H- in Ge is anti-bonded to a Ge atom, and is likely to be considerably less mobile than in Si. Although H+ is not trapped by the minority species in both Si-rich and Ge-rich alloys, we find that H- can be stabilized by forming anti-bonded H-Si structures.

Idioma originalEnglish
Páginas (de-até)S2155-S2164
RevistaJournal of Physics Condensed Matter
Volume17
Número de emissão22
DOIs
Estado da publicaçãoPublicado - 8 jun 2005
Publicado externamenteSim

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