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• W2068122502 endingPage "9392" @default.
• W2068122502 startingPage "9387" @default.
• W2068122502 abstract "We present a method to study the effects of isotopic composition on the Raman spectra of crystals, in which disorder is treated exactly without resorting to any kind of mean-field approximation. The Raman cross section is expressed in terms of a suitable diagonal element of the vibrational Green's function, which is accurately and efficiently calculated using the recursion technique. This method can be used in conjunction with both semiempirical lattice-dynamical models and with first-principles interatomic force constants. We have applied our technique to diamond and germanium using the most accurate interatomic force constants presently available, obtained from density-functional perturbation theory. Our method correctly reproduces the light scattering in diamond---where isotopic effects dominates over the anharmonic ones---as well as in germanium, where anharmonic effects are larger." @default.
• W2068122502 created "2016-06-24" @default.
• W2068122502 creator A5016865358 @default.
• W2068122502 creator A5055237754 @default.
• W2068122502 date "2000-04-01" @default.
• W2068122502 modified "2023-09-30" @default.
• W2068122502 title "Effects of isotopic disorder on the Raman spectra of crystals: Theory and<i>ab initio</i>calculations for diamond and germanium" @default.
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• W2068122502 doi "https://doi.org/10.1103/physrevb.61.9387" @default.
• W2068122502 hasPublicationYear "2000" @default.
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