Vibrational dynamics of bond-center hydrogen in crystalline silicon

M. Budde, C. Parks Cheney, G. Lüpke, N. H. Tolk, Leonard C Feldman

Research output: Contribution to journalArticle

31 Citations (Scopus)

Abstract

The absorption line shape associated with the fundamental transition of the H-related stretch mode of bond-center hydrogen in crystalline silicon is measured as a function of temperature with infrared spectroscopy. In addition to the shift in frequency and increase in linewidth usually observed for local vibrational modes in solids, the absorption line becomes asymmetric at elevated temperatures. A theoretical model is developed, which describes the temperature-dependent line shape in terms of thermal fluctuations in the occupation number of a low-frequency mode coupled anharmonically to the stretch mode. The model successfully describes the shift, broadening, and asymmetry of the absorption line and gives new insight into the nature of the low-frequency mode. The mode has a frequency of 114 cm-1, is twofold degenerate, and exhibits no isotopic shift when deuterium is substituted for hydrogen. It is assigned to a pseudolocalized, Si-related mode of bond-center hydrogen.

Original languageEnglish
Article number195203
Pages (from-to)1952031-19520318
Number of pages17568288
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume63
Issue number19
Publication statusPublished - 2001

Fingerprint

Silicon
Hydrogen
Crystalline materials
silicon
hydrogen
Deuterium
line shape
shift
Linewidth
Temperature
Infrared spectroscopy
low frequencies
occupation
coupled modes
temperature
deuterium
vibration mode
infrared spectroscopy
asymmetry

ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

Budde, M., Cheney, C. P., Lüpke, G., Tolk, N. H., & Feldman, L. C. (2001). Vibrational dynamics of bond-center hydrogen in crystalline silicon. Physical Review B - Condensed Matter and Materials Physics, 63(19), 1952031-19520318. [195203].

Vibrational dynamics of bond-center hydrogen in crystalline silicon. / Budde, M.; Cheney, C. Parks; Lüpke, G.; Tolk, N. H.; Feldman, Leonard C.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 63, No. 19, 195203, 2001, p. 1952031-19520318.

Research output: Contribution to journalArticle

Budde, M, Cheney, CP, Lüpke, G, Tolk, NH & Feldman, LC 2001, 'Vibrational dynamics of bond-center hydrogen in crystalline silicon', Physical Review B - Condensed Matter and Materials Physics, vol. 63, no. 19, 195203, pp. 1952031-19520318.
Budde, M. ; Cheney, C. Parks ; Lüpke, G. ; Tolk, N. H. ; Feldman, Leonard C. / Vibrational dynamics of bond-center hydrogen in crystalline silicon. In: Physical Review B - Condensed Matter and Materials Physics. 2001 ; Vol. 63, No. 19. pp. 1952031-19520318.
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