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Phonon spectrum of SrFe2As2 determined using multizone phonon refinement

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arxiv 1402.0605 v1 pith:TQHH52CX submitted 2014-02-04 cond-mat.supr-con

Phonon spectrum of SrFe2As2 determined using multizone phonon refinement

classification cond-mat.supr-con
keywords phononmagneticcalculationseffectenergiesfindfrequenciesphonons
verification ladder T0 review T1 audit T2 compute T3 formal T4 reserved
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The ferropnictide superconductors exhibit a sensitive interplay between the lattice and magnetic degrees of freedom, including a number of phonon modes that are much softer than predicted by nonmagnetic calculations using density functional theory (DFT). However, it is not known what effect, if any, the long-range magnetic order has on phonon frequencies above 23 meV, where several phonon branches are very closely spaced in energy and it is challenging to isolate them from each other. We measured these phonons using inelastic time-of-flight neutron scattering in ~40 Brillouin zones, and developed a technique to determine their frequencies. We find this method capable of determining phonon energies to ~0.1 meV accuracy, and that the DFT calculations using the experimental structure yield qualitatively correct energies and eigenvectors. We do not find any effect of the magnetic transition on these phonons.

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