کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1816665 1525270 2006 4 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Theory of anharmonicity on bond-centered hydrogen oscillators in silicon
موضوعات مرتبط
مهندسی و علوم پایه فیزیک و نجوم فیزیک ماده چگال
پیش نمایش صفحه اول مقاله
Theory of anharmonicity on bond-centered hydrogen oscillators in silicon
چکیده انگلیسی
An anomalous positive shift when the mass of the Si host isotope is increased has been observed recently [Pereira et al., Physica B 340-342 (2003) 697] for the asymmetric stretch frequency of the bond-centered proton in Si (HBC+). On the other hand, the usual downward isotope shift was observed for the analogous bond-centered deuteron (DBC+). Based on phenomenological and ab initio modeling studies, we explain the observed puzzling effect. We introduce a Si-H-Si linear model that accounts well for the observations when anharmonicity, volumetric effects due to the host-isotope mass change, and the coupling of the Si-H-Si unit to the lattice are taken into account. The positive isotope shift for HBC+ results from anharmonic A2u+A1g mode mixing and volumetric effects.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physica B: Condensed Matter - Volumes 376–377, 1 April 2006, Pages 126-129
نویسندگان
, , , , , ,