Ab Initio Phonon Dispersions for PbTe

dc.creatorAn, Jiming
dc.creatorSubedi, Alaska
dc.creatorSingh, David J.
dc.date2008-06-17
dc.date2008-07-08
dc.date.accessioned2026-07-07T10:12:54Z
dc.date.available2026-07-07T10:12:54Z
dc.descriptionWe report first principles calculations of the phonon dispersions of PbTe both for its observed structure and under compression. At the experimental lattice parameter we find a near instability of the optic branch at the zone center, in accord with experimental observations.This hardens quickly towards the zone boundary. There is also a very strong volume dependence of this mode, which is rapidly driven away from an instability by compression. These results are discussed inrelation to the thermal conductivity of the material.
dc.description3 figures; typos corrected. Figure 1 replaced to correct label
dc.identifierhttps://arxiv.org/abs/0806.2727
dc.identifierhttp://arxiv.org/abs/0806.2727
dc.identifierSolid State Communications 148, 417 (2008).
dc.identifierdoi:10.1016/j.ssc.2008.09.027
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/172346
dc.subjectMaterials Science
dc.titleAb Initio Phonon Dispersions for PbTe
dc.typetext

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