Phonon density of states of single-crystal SrFe2As2 across the collapsed phase transition at high pressure

Wang, Y. Q.; Lu, P. C.; Wu, J. J.; Liu, J.; Wang, X. C.; Zhao, J. Y.; Bi, W.; Alp, E. E.; Park, C. Y.; Popov, D.; Jin, C. Q.; Sun, J.; Lin, J. F.

doi:10.1103/PhysRevB.94.014516

Phonon density of states of single-crystal $SrF e_{2} A s_{2}$ across the collapsed phase transition at high pressure

Journal Article · Fri Jul 01 04:00:00 EDT 2016 · Physical Review B

DOI:https://doi.org/10.1103/PhysRevB.94.014516· OSTI ID:1390803

Wang, Y. Q.; Lu, P. C.; Wu, J. J.; Liu, J.; Wang, X. C.; Zhao, J. Y.; Bi, W.; Alp, E. E.; Park, C. Y.; Popov, D.; Jin, C. Q.; Sun, J.; Lin, J. F.

To help our understanding of the structural and superconducting transitions in ferropnictides, partial phonon density of states (PDOS) of iron in a single-crystal SrFe2As2 pnictide have been investigated from both out-ofplane and in-plane polarizations with respect to the basal plane of the crystal structure using nuclear resonant inelastic x-ray scattering in a high-pressure diamond anvil cell at ambient temperature. The partial PDOS of iron in the pnictide crystal changes dramatically at approximately 8 GPa, which can be associated with the tetragonal(T)tocollapsedtetragonal(CT)isostructuraltransitionasevidencedinhigh-pressurex-raydiffraction measurements and theoretic calculations. Across the T-CT phase transition, analysis of the PDOS spectra shows a rapid stiffening of the optical phonon modes and a dramatic increase of the Lamb-M¨ossbauer factor (fLM) and mean force constant which can be associated with the rapid decrease of the c axis and the anomalous expansion of the a axis. Theoretically calculated Fe partial PDOS and lattice parameters of SrFe2As2 further reveal the strong correlation between the lattice parameters and phonons. Our results show that the T-CT transition can induce significant changes in the vibrational, elastic, and thermodynamic properties of SrFe2As2 single crystal at high pressure.

Research Organization:: Argonne National Laboratory (ANL)

Sponsoring Organization:: USDOE Office of Science - Office of Basic Energy Sciences; National Science Foundation (NSF); National Natural Science Foundation of China (NSFC)

DOE Contract Number:: AC02-06CH11357

OSTI ID:: 1390803

Journal Information:: Physical Review B, Journal Name: Physical Review B Journal Issue: 1 Vol. 94; ISSN 2469-9950; ISSN PRBMDO

Publisher:: American Physical Society (APS)

Country of Publication:: United States

Language:: English

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