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Title: Phonon Spectrum of SrFe2As2 determined by multizone phonon refinement

Abstract

The ferropnictidesuperconductors 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.

Authors:
 [1];  [2];  [3];  [2];  [3];  [3];  [4]
  1. University of Tennessee, Knoxville (UTK)
  2. Kernforschungszentrum Karlsruhe, Germany
  3. ORNL
  4. University of Colorado, Boulder
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Spallation Neutron Source (SNS)
Sponsoring Org.:
USDOE
OSTI Identifier:
1121823
DOE Contract Number:  
DE-AC05-00OR22725
Resource Type:
Journal Article
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 89; Journal Issue: 6; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English

Citation Formats

Parshall, D, Heid, R, Niedziela, Jennifer L, Wolf, Th., Stone, Matthew B, Abernathy, Douglas L, and Reznik, Dmitry. Phonon Spectrum of SrFe2As2 determined by multizone phonon refinement. United States: N. p., 2014. Web. doi:10.1103/PhysRevB.89.064310.
Parshall, D, Heid, R, Niedziela, Jennifer L, Wolf, Th., Stone, Matthew B, Abernathy, Douglas L, & Reznik, Dmitry. Phonon Spectrum of SrFe2As2 determined by multizone phonon refinement. United States. https://doi.org/10.1103/PhysRevB.89.064310
Parshall, D, Heid, R, Niedziela, Jennifer L, Wolf, Th., Stone, Matthew B, Abernathy, Douglas L, and Reznik, Dmitry. 2014. "Phonon Spectrum of SrFe2As2 determined by multizone phonon refinement". United States. https://doi.org/10.1103/PhysRevB.89.064310.
@article{osti_1121823,
title = {Phonon Spectrum of SrFe2As2 determined by multizone phonon refinement},
author = {Parshall, D and Heid, R and Niedziela, Jennifer L and Wolf, Th. and Stone, Matthew B and Abernathy, Douglas L and Reznik, Dmitry},
abstractNote = {The ferropnictidesuperconductors 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.},
doi = {10.1103/PhysRevB.89.064310},
url = {https://www.osti.gov/biblio/1121823}, journal = {Physical Review B},
issn = {2469-9950},
number = 6,
volume = 89,
place = {United States},
year = {Wed Jan 01 00:00:00 EST 2014},
month = {Wed Jan 01 00:00:00 EST 2014}
}