Ab initio mechanical response: Internal friction and structure of divacancies in silicon

Date

2005-01-01

Author

Toffoli, Hande
Arias, TA

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This Letter introduces an ab initio study of the full activation-volume tensor of crystalline defects as a means to make contact with mechanical response experiments. We present a theoretical framework for the prediction of the internal friction associated with divacancy defects and give the first ab initio value for this quantity in silicon. Finally, making a connection with defect alignment studies, we give the first unambiguous resolution of the debate surrounding ab initio verification of the ground-state structure of the defect.

Subject Keywords

General Physics and Astronomy

URI

https://hdl.handle.net/11511/43825

Journal

PHYSICAL REVIEW LETTERS

DOI

https://doi.org/10.1103/physrevlett.94.025503

Collections

Department of Physics, Article

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Citation Formats

H. Toffoli and T. Arias, “Ab initio mechanical response: Internal friction and structure of divacancies in silicon,” PHYSICAL REVIEW LETTERS, pp. 0–0, 2005, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/43825.