Inelastic neutron scattering and lattice dynamical calculations in BaFe2As2

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dc.creatorMittal, R.
dc.creatorSu, Y.
dc.creatorRols, S.
dc.creatorChatterji, T.
dc.creatorChaplot, S. L.
dc.creatorSchober, H.
dc.creatorRotter, M.
dc.creatorJohrendt, D.
dc.creatorBrueckel, Th.
dc.date2008-07-21
dc.date.accessioned2026-07-07T10:02:41Z
dc.date.available2026-07-07T10:02:41Z
dc.descriptionWe report here first extensive measurements of the temperature dependence of phonon density of states of BaFe2As2, the parent compound of the newly discovered FeAs-based superconductors, using inelastic neutron scattering. The experiments were carried out on the thermal time-of-flight neutron spectrometer IN4 at the ILL on a polycrystalline sample. There is no appreciable change in the spectra between T = 10 K and 200 K, although the sample undergoes a magnetic as well as a tetragonal-to-orthorhombic structural phase transition at 140 K. This indicates a rather harmonic phonon system. Shell model lattice dynamical calculations based on interatomic potentials are carried out to characterize the phonon data. The calculations predict a shift of the Ba-phonons to higher energies at 4 GPa. The average energy of the phonons of the Ba-sublattice is also predicted to increase on partial substitution of Ba by K to Ba0.6K0.4. The calculations show good agreement with the experimental phonon spectra, and also with the specific heat data from the literature.
dc.description10 pages, 4 figures
dc.identifierhttps://arxiv.org/abs/0807.3172
dc.identifierhttp://arxiv.org/abs/0807.3172
dc.identifierPhys. Rev. B 78, 104514 (2008).
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/169062
dc.subjectSuperconductivity
dc.subjectMaterials Science
dc.titleInelastic neutron scattering and lattice dynamical calculations in BaFe2As2
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