Browse by author
Lookup NU author(s): Professor Patrick Briddon
Full text for this publication is not currently held within this repository. Alternative links are provided below where available.
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. © 2005 Elsevier B.V. All rights reserved.
Author(s): Coutinho J, Torres VJB, Pereira RN, Nielsen BB, Jones R, Briddon PR
Publication type: Conference Proceedings (inc. Abstract)
Publication status: Published
Conference Name: Physica B: Condensed Matter, 23rd International Conference on Defects in Semiconductors
Year of Conference: 2006
Publisher: Elsevier BV
Library holdings: Search Newcastle University Library for this item