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Self-interstitial-hydrogen complexes in silicon

Lookup NU author(s): Professor Patrick Briddon


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The vibrational properties of interstitial silane (SiH4)(i) and silyl (SiH3)(i) molecules in crystalline silicon are calculated using a first-principle, cluster-based, spin-polarized local-density method. The Si-H stretch modes are found to be redshifted by similar to 300 cm(-1) from those of the isolated molecule, which lie around 2200 cm(-1) These results refute recent suggestions that modes observed around 2200 cm(-1), and previously assigned to hydrogenated vacancy defects, are due to these interstitial molecules. [S0163-1829(99)05624-6].

Publication metadata

Author(s): Hourahine B, Jones R, Oberg S, Briddon PR

Publication type: Article

Publication status: Published

Journal: Physical Review B

Year: 1999

Volume: 59

Issue: 24

Pages: 15729-15732

Print publication date: 01/06/1999

ISSN (print): 1098-0121

ISSN (electronic): 1550-235X

Publisher: American Physical Society


DOI: 10.1103/PhysRevB.59.15729


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