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Article
Magnetism-dependent phonon anomaly in LaFeAsO observed via inelastic x-ray scattering
Physical Review B
  • S. E. Hahn, Iowa State University
  • Gregory S. Tucker, Iowa State University
  • J.-Q. Yan, Iowa State University
  • A. H. Said, Argonne National Laboratory
  • B. M. Leu, Argonne National Laboratory
  • R. William McCallum, Iowa State University
  • E. E. Alp, Argonne National Laboratory
  • Thomas A. Lograsso, Iowa State University
  • Robert J. McQueeney, Iowa State University
  • Bruce N. Harmon, Iowa State University
Document Type
Article
Publication Date
3-27-2013
DOI
10.1103/PhysRevB.87.104518
Abstract

The phonon dispersion was measured at room temperature along (0,0,L) in the tetragonal phase of LaFeAsO using inelastic x-ray scattering. Spin-polarized first-principles calculations imposing various types of antiferromagnetic order are in better agreement with the experimental results than nonmagnetic calculations, although the measurements were made well above the magnetic ordering temperature, TN. Splitting observed between two A1g phonon modes at 22 and 26 meV is only reproduced in spin-polarized calculations. Magnetostructural effects similar to those observed in the AFe2As2 (A=Ca,Sr,Ba,Eu) materials are present in LaFeAsO. The inclusion of Fe spin is necessary to find reasonable agreement of the calculations with the measured spectrum well above TN. On-site Fe and As force constants show significant softening compared to nonmagnetic calculations, however an investigation of the real-space force constants associates the magnetoelastic coupling with a complex renormalization instead of softening of a specific pairwise force.

Comments

This article is from Physical Review B 87 (2013): 104518, doi:10.1103/PhysRevB.87.104518.

Copyright Owner
American Physical Society
Language
en
File Format
application/pdf
Citation Information
S. E. Hahn, Gregory S. Tucker, J.-Q. Yan, A. H. Said, et al.. "Magnetism-dependent phonon anomaly in LaFeAsO observed via inelastic x-ray scattering" Physical Review B Vol. 87 Iss. 10 (2013) p. 104518
Available at: http://works.bepress.com/thomas_lograsso/33/