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

Title: 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 00:00:00 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.

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Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States)

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

DOE Contract Number:: AC02-06CH11357

OSTI ID:: 1390803

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

Publisher:: American Physical Society (APS)

Country of Publication:: United States

Language:: English

References (39)

Generalized Gradient Approximation Made Simple Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868 https://doi.org/10.1103/PhysRevLett.77.3865	journal	October 1996
Iron isotope effect on the superconducting transition temperature and the crystal structure of FeSe _{1− x} Khasanov, R.; Bendele, M.; Conder, K. New Journal of Physics, Vol. 12, Issue 7 https://doi.org/10.1088/1367-2630/12/7/073024	journal	July 2010
Spin-density-wave anomaly at 140 K in the ternary iron arsenide ${BaFe}_{2} {As}_{2}$ Rotter, Marianne; Tegel, Marcus; Johrendt, Dirk Physical Review B, Vol. 78, Issue 2 https://doi.org/10.1103/PhysRevB.78.020503	journal	July 2008
Is ${LaFeAsO}_{1 - x} F_{x}$ an Electron-Phonon Superconductor? Boeri, L.; Dolgov, O. V.; Golubov, A. A. Physical Review Letters, Vol. 101, Issue 2 https://doi.org/10.1103/PhysRevLett.101.026403	journal	July 2008
Effect of Uniaxial Stress for Pressure-Induced Superconductor SrFe ₂ As ₂ Kotegawa, Hisashi; Kawazoe, Takayuki; Sugawara, Hitoshi Journal of the Physical Society of Japan, Vol. 78, Issue 8 https://doi.org/10.1143/JPSJ.78.083702	journal	August 2009
To What Extent Iron-Pnictide New Superconductors Have Been Clarified: A Progress Report Ishida, Kenji; Nakai, Yusuke; Hosono, Hideo Journal of the Physical Society of Japan, Vol. 78, Issue 6 https://doi.org/10.1143/JPSJ.78.062001	journal	June 2009
Pressure-Induced Superconductivity in Iron Pnictide Compound SrFe ₂ As ₂ Igawa, Kazumi; Okada, Hironari; Takahashi, Hiroki Journal of the Physical Society of Japan, Vol. 78, Issue 2 https://doi.org/10.1143/JPSJ.78.025001	journal	February 2009
Raman-scattering study of $K_{x} {Sr}_{1 - x} {Fe}_{2} {As}_{2}$ $(x = 0.0, 0.4)$ Litvinchuk, A. P.; Hadjiev, V. G.; Iliev, M. N. Physical Review B, Vol. 78, Issue 6 https://doi.org/10.1103/PhysRevB.78.060503	journal	August 2008
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set Kresse, G.; Furthmüller, J. Computational Materials Science, Vol. 6, Issue 1, p. 15-50 https://doi.org/10.1016/0927-0256(96)00008-0	journal	July 1996
Strong Coupling of the Fe-Spin State and the As-As Hybridization in Iron-Pnictide Superconductors from First-Principle Calculations Yildirim, T. Physical Review Letters, Vol. 102, Issue 3 https://doi.org/10.1103/PhysRevLett.102.037003	journal	January 2009
Pressure Induced Superconductivity in ${CaFe}_{2} {As}_{2}$ Torikachvili, Milton S.; Bud’ko, Sergey L.; Ni, Ni Physical Review Letters, Vol. 101, Issue 5 https://doi.org/10.1103/PhysRevLett.101.057006	journal	July 2008
Phonons in doped and undoped ${BaFe}_{2} {As}_{2}$ investigated by inelastic x-ray scattering Reznik, D.; Lokshin, K.; Mitchell, D. C. Physical Review B, Vol. 80, Issue 21 https://doi.org/10.1103/PhysRevB.80.214534	journal	December 2009
Superconductivity above 33 K in (Ca _{1 − x} Na _x )Fe ₂ As ₂ Zhao, K.; Liu, Q. Q.; Wang, X. C. Journal of Physics: Condensed Matter, Vol. 22, Issue 22 https://doi.org/10.1088/0953-8984/22/22/222203	journal	May 2010
Collapsed tetragonal phase and superconductivity of ${BaFe}_{2} {As}_{2}$ under high pressure Uhoya, Walter; Stemshorn, Andrew; Tsoi, Georgiy Physical Review B, Vol. 82, Issue 14 https://doi.org/10.1103/PhysRevB.82.144118	journal	October 2010
Static compression of ?-Fe2O3: linear incompressibility of lattice parameters and high-pressure transformations Liu, H.; Caldwell, W. A.; Benedetti, L. R. Physics and Chemistry of Minerals, Vol. 30, Issue 9 https://doi.org/10.1007/s00269-003-0351-1	journal	October 2003
Structural and magnetic phase transitions in the ternary iron arsenides SrFe ₂ As ₂ and EuFe ₂ As ₂ Tegel, Marcus; Rotter, Marianne; Weiß, Veronika Journal of Physics: Condensed Matter, Vol. 20, Issue 45 https://doi.org/10.1088/0953-8984/20/45/452201	journal	October 2008
Pressure-decoupled magnetic and structural transitions of the parent compound of iron-based 122 superconductors BaFe2As2 Wu, J. J.; Lin, J. -F.; Wang, X. C. Proceedings of the National Academy of Sciences, Vol. 110, Issue 43 https://doi.org/10.1073/pnas.1310286110	journal	October 2013
Magnetic order close to superconductivity in the iron-based layered LaO1-xF x FeAs systems de la Cruz, Clarina; Huang, Q.; Lynn, J. W. Nature, Vol. 453, Issue 7197 https://doi.org/10.1038/nature07057	journal	May 2008
Iron-Based Layered Superconductor La[O _1- _x F _x ]FeAs ( x = 0.05−0.12) with T _c = 26 K Kamihara, Yoichi; Watanabe, Takumi; Hirano, Masahiro Journal of the American Chemical Society, Vol. 130, Issue 11 https://doi.org/10.1021/ja800073m	journal	March 2008
Appearance of pressure-induced superconductivity in ${BaFe}_{2} {As}_{2}$ under hydrostatic conditions and its extremely high sensitivity to uniaxial stress Yamazaki, Takehiro; Takeshita, Nao; Kobayashi, Ryosuke Physical Review B, Vol. 81, Issue 22 https://doi.org/10.1103/PhysRevB.81.224511	journal	June 2010
Phase transition and superconductivity of SrFe ₂ As ₂ under high pressure Uhoya, Walter O.; Montgomery, Jeffrey M.; Tsoi, Georgiy M. Journal of Physics: Condensed Matter, Vol. 23, Issue 12 https://doi.org/10.1088/0953-8984/23/12/122201	journal	March 2011
CONUSS and PHOENIX: Evaluation of nuclear resonant scattering data Sturhahn, W. Hyperfine Interactions, Vol. 125, Issue 1/4, p. 149-172 https://doi.org/10.1023/A:1012681503686	journal	March 2000
Pressure-induced superconductivity in CaFe ₂ As ₂ Park, Tuson; Park, Eunsung; Lee, Hanoh Journal of Physics: Condensed Matter, Vol. 20, Issue 32 https://doi.org/10.1088/0953-8984/20/32/322204	journal	July 2008
Strong coupling between magnetic and structural order parameters in ${SrFe}_{2} {As}_{2}$ Jesche, A.; Caroca-Canales, N.; Rosner, H. Physical Review B, Vol. 78, Issue 18 https://doi.org/10.1103/PhysRevB.78.180504	journal	November 2008
High pressure study of BaFe ₂ As ₂ —the role of hydrostaticity and uniaxial stress Duncan, W. J.; Welzel, O. P.; Harrison, C. Journal of Physics: Condensed Matter, Vol. 22, Issue 5 https://doi.org/10.1088/0953-8984/22/5/052201	journal	January 2010
Intrinsic Properties of A Fe ₂ As ₂ ( A = Ba, Sr) Single Crystal under Highly Hydrostatic Pressure Conditions Matsubayashi, Kazuyuki; Katayama, Naoyuki; Ohgushi, Kenya Journal of the Physical Society of Japan, Vol. 78, Issue 7 https://doi.org/10.1143/JPSJ.78.073706	journal	July 2009
Multiple Phase Transitions in Single-Crystalline ${Na}_{1 - δ} FeAs$ Chen, G. F.; Hu, W. Z.; Luo, J. L. Physical Review Letters, Vol. 102, Issue 22 https://doi.org/10.1103/PhysRevLett.102.227004	journal	June 2009
High-temperature superconductivity in iron-based materials Paglione, Johnpierre; Greene, Richard L. Nature Physics, Vol. 6, Issue 9 https://doi.org/10.1038/nphys1759	journal	August 2010
Superconductivity in iron compounds Stewart, G. R. Reviews of Modern Physics, Vol. 83, Issue 4 https://doi.org/10.1103/RevModPhys.83.1589	journal	December 2011
Ab initio lattice dynamics simulations and inelastic neutron scattering spectra for studying phonons in ${BaFe}_{2} {As}_{2}$ : Effect of structural phase transition, structural relaxation, and magnetic ordering Zbiri, Mohamed; Schober, Helmut; Johnson, Mark R. Physical Review B, Vol. 79, Issue 6 https://doi.org/10.1103/PhysRevB.79.064511	journal	February 2009
Pressure effects on two superconducting iron-based families Sefat, Athena S. Reports on Progress in Physics, Vol. 74, Issue 12 https://doi.org/10.1088/0034-4885/74/12/124502	journal	September 2011
Lattice collapse and quenching of magnetism in ${CaFe}_{2} {As}_{2}$ under pressure: A single-crystal neutron and x-ray diffraction investigation Goldman, A. I.; Kreyssig, A.; Prokeš, K. Physical Review B, Vol. 79, Issue 2 https://doi.org/10.1103/PhysRevB.79.024513	journal	January 2009
Orthorhombic fluctuations in tetragonal $A$ Fe $_{2}$ As $_{2}$ ( $A = Sr$ and Eu) Kobayashi, Hisao; Ikeda, Shugo; Yoda, Yoshitaka Physical Review B, Vol. 84, Issue 18 https://doi.org/10.1103/PhysRevB.84.184304	journal	November 2011
Ambient- and low-temperature synchrotron x-ray diffraction study of BaFe $_{2}$ As $_{2}$ and CaFe $_{2}$ As $_{2}$ at high pressures up to 56 GPa Mittal, R.; Mishra, S. K.; Chaplot, S. L. Physical Review B, Vol. 83, Issue 5 https://doi.org/10.1103/PhysRevB.83.054503	journal	February 2011
First-principles calculations of the ferroelastic transition between rutile-type and ${CaCl}_{2}$ -type ${SiO}_{2}$ at high pressures Togo, Atsushi; Oba, Fumiyasu; Tanaka, Isao Physical Review B, Vol. 78, Issue 13 https://doi.org/10.1103/PhysRevB.78.134106	journal	October 2008
Temperature and pressure dependence of the Fe-specific phonon density of states in $Ba {({Fe}_{1 - x} {Co}_{x})}_{2} {As}_{2}$ Delaire, O.; Lucas, M. S.; dos Santos, A. M. Physical Review B, Vol. 81, Issue 9 https://doi.org/10.1103/PhysRevB.81.094504	journal	March 2010
A large iron isotope effect in SmFeAsO1 - xF x and Ba1 - xK x Fe2As2 Liu, R. H.; Wu, T.; Wu, G. Nature, Vol. 459, Issue 7243 https://doi.org/10.1038/nature07981	journal	May 2009
Magnetic and structural transitions of SrFe2As2 at high pressure and low temperature Wu, J. J.; Lin, J. F.; Wang, X. C. Scientific Reports, Vol. 4, Issue 1 https://doi.org/10.1038/srep03685	journal	January 2014
Anomalous compressibility effects and superconductivity of EuFe ₂ As ₂ under high pressures Uhoya, Walter; Tsoi, Georgiy; Vohra, Yogesh K. Journal of Physics: Condensed Matter, Vol. 22, Issue 29 https://doi.org/10.1088/0953-8984/22/29/292202	journal	June 2010

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