Anharmonic effects on monolayer phonons

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Anharmonic effects on monolayer phonons

Show simple item record Bruch, L. W. Novaco, Anthony D. 2011-03-14T14:05:30Z 2011-03-14T14:05:30Z 2000-02-15
dc.identifier.citation Bruch, L. W. and A. D. Novaco (2000). "Anharmonic effects on monolayer phonons." Physical Review B 61 (8): 5786-5792 en_US
dc.description.abstract The anharmonic frequency shifts of the phonons in monolayer solids of Ar/Pt(lll) and commensurate Xe/Pt(lll) are calculated with quasiharmonic perturbation theory and with self-consistent-phonon theory. Results from the two methods are in good agreement for Ar/Pt(lll). Uncertainties in the frequency shifts for the Ar/Pt(lll) modes are small compared to present uncertainties in the interaction model and in the experimental data. Anharmonic effects in the commensurate Xe/Pt(lll) solid at 80 K are large, both because of the small adatom-adatom force constants in this dilated lattice and because of the large degree of thermal excitation. A version of the improved self-consistent-phonon approximation is used for comparison to experimental data, and it is found that the anharmonic terms cause changes on the scale of adjustments in Xe-Pt forces previously found necessary to achieve fits of the harmonic theory to the data. The contribution of static adsorption-induced dipole moments to the monolayer lattice dynamics is analyzed and is found to be negligible for Xe/Pt(111). en_US
dc.publisher Physical Review B en_US
dc.title Anharmonic effects on monolayer phonons en_US
dc.type Article en_US

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