Effects of spin structures on phonons in BaFe2 As2

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Abstract

The dependences of phonons on the spin structures of BaFe2 As2 were studied using first-principles supercell approach. We considered the nonmagnetic, checkerboard, stripe, and spin-density-wave structures as well as a spin structure labeled as STR17. We find that STR17 is lower in energy than the stripe. It is seen the ∼20 meV missing peak at the generalized phonon density-of-states and the measured specific heat are well reproduced when the magnetic effects are accounted. We see phonon energy gaps for all the four magnetic structures but not for the nonmagnetic structure.

Original languageEnglish (US)
Article number022504
JournalApplied Physics Letters
Volume97
Issue number2
DOIs
StatePublished - Jul 12 2010

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All Science Journal Classification (ASJC) codes

  • Physics and Astronomy (miscellaneous)

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