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AbstractAbstract
[en] We study the temperature dependence of phonon frequency shifts and phonon linewidths in diamond and graphite using tight-binding molecular dynamics simulations. The calculation of one-phonon spectral intensities of several modes through velocity-velocity correlation functions allows a quantitative and nonperturbative study of these anharmonic effects. Our results for the zone-centre optical mode of diamond, for which experimental data are available, agree very well with first-order Raman-scattering measurements. (author)
Source
Available online at the Web site for the Journal of Physics. Condensed Matter (ISSN 1361-648X) http://www.iop.org/; Country of input: Colombia
Record Type
Journal Article
Journal
Journal of Physics. Condensed Matter; ISSN 0953-8984;
; v. 9(33); p. 7071-7080

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