American Institute of Physics, Applied Physics Letters, 4(94), p. 041912
DOI: 10.1063/1.3076092
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Density functional theory calculations are used to identify preferential sites for oxygen adsorption on SiGe. It is shown that Ge atoms hinder O incorporation in their vicinity. Additionally, the silanone structure, known to be the key intermediate prior to silicon dioxide formation, is shown to be not favorable when close to a Ge site on the surface.