Observation of two collapsed phases in CaRbFe4As4

Stillwell, R. L.; Weir, S. T.; Jeffries, J R; Wang, X.; Wang, L.; Campbell, D. J.; Paglione, J. P.; Vohra, Y K

doi:10.1103/PhysRevB.100.045152

Title: Observation of two collapsed phases in $CaRbF e_{4} A s_{4}$

Journal Article · Wed Jul 31 00:00:00 EDT 2019 · Physical Review B

DOI:https://doi.org/10.1103/PhysRevB.100.045152· OSTI ID:1568003

Stillwell, R. L. ^[1]; Weir, S. T. ^[1]; Jeffries, J R ^[1]; Wang, X. ^[2]; Wang, L. ^[2]; Campbell, D. J. ^[2]; Paglione, J. P. ^[3]; Vohra, Y K ^[4]

Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Univ. of Maryland, College Park, MD (United States). Dept. of Physics, Center for Nanophysics and Advanced Materials
Univ. of Maryland, College Park, MD (United States). Dept. of Physics, Center for Nanophysics and Advanced Materials; Canadian Inst. for Advanced Research, Toronto, ON (Canada)
Univ. of Alabama, Birmingham, AL (United States). Dept. of Physics

We report the observation of the pressure-induced, fully collapsed tetragonal phase of $$CaRbF_{e_4}As_4$$ for $P ~ 22 GPa$ via high-pressure x-ray diffraction and magnetotransport measurements. The x-ray measurements, along with resistivity measurements, show that there is an initial half-collapsed tetragonal phase for $6 < P < 22$ GPa , in which superconductivity is continuously suppressed from $$T_ c = 35 K$$ at $P = 3.1 GP$a to $$T_c < 2 K$$ for $P ≥ 17.2 GPa$ , as well as signs of the fully collapsed tetragonal phase near $P = 22 GPa$. Density functional calculations suggest that both of these transitions are driven by increased As-As bonding, first across the Ca layer, and then at the second transition, across the Rb layer. Although electrical resistivity measurements in the fully collapsed tetragonal phase do not show superconductivity, there is a change in the slope of both the Hall coefficient and the longitudinal resistance near 22 GPa, suggesting a strong correlation between the electronic and lattice degrees of freedom in this new iron-based superconductor.

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Research Organization:: Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA)

Grant/Contract Number:: AC52-07NA27344; AC52- 07NA27344; AC02-06CH11357; NA0003916; DE‐SC0014664

OSTI ID:: 1568003

Alternate ID(s):: OSTI ID: 1545946

Report Number(s):: LLNL-JRNL-766982; PRBMDO; 956760; TRN: US2100083

Journal Information:: Physical Review B, Vol. 100, Issue 4; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 4 works

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References (66)

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
Antiferromagnetic order in ${CaK (Fe}_{1 - x} {Ni}_{x})_{4} {As}_{4}$ and its interplay with superconductivity Kreyssig, A.; Wilde, J. M.; Böhmer, A. E. Physical Review B, Vol. 97, Issue 22 https://doi.org/10.1103/PhysRevB.97.224521	journal	June 2018
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
Projector augmented-wave method Blöchl, P. E. Physical Review B, Vol. 50, Issue 24, p. 17953-17979 https://doi.org/10.1103/PhysRevB.50.17953	journal	December 1994
Specific heat and upper critical fields in KFe $_{2}$ As $_{2}$ single crystals Abdel-Hafiez, M.; Aswartham, S.; Wurmehl, S. Physical Review B, Vol. 85, Issue 13 https://doi.org/10.1103/PhysRevB.85.134533	journal	April 2012
Universal V-shaped temperature-pressure phase diagram in the iron-based superconductors ${KFe}_{2} {As}_{2}, {RbFe}_{2} {As}_{2}$ , and ${CsFe}_{2} {As}_{2}$ Tafti, F. F.; Ouellet, A.; Juneau-Fecteau, A. Physical Review B, Vol. 91, Issue 5 https://doi.org/10.1103/PhysRevB.91.054511	journal	February 2015
From ultrasoft pseudopotentials to the projector augmented-wave method Kresse, G.; Joubert, D. Physical Review B, Vol. 59, Issue 3, p. 1758-1775 https://doi.org/10.1103/PhysRevB.59.1758	journal	January 1999
Superconductivity at 55 K in Iron-Based F-Doped Layered Quaternary Compound Sm[O _{1- x} F _x ] FeAs Zhi-An, Ren; Wei, Lu; Jie, Yang Chinese Physics Letters, Vol. 25, Issue 6 https://doi.org/10.1088/0256-307X/25/6/080	journal	May 2008
Structural collapse and superconductivity in rare-earth-doped CaFe $_{2}$ As $_{2}$ Saha, S. R.; Butch, N. P.; Drye, T. Physical Review B, Vol. 85, Issue 2 https://doi.org/10.1103/PhysRevB.85.024525	journal	January 2012
Conventional empirical law reverses in the phase transitions of 122-type iron-based superconductors Yu, Zhenhai; Wang, Lin; Wang, Luhong Scientific Reports, Vol. 4, Issue 1 https://doi.org/10.1038/srep07172	journal	November 2014
Absence of superconductivity in the collapsed tetragonal phase of $KF e_{2} A s_{2}$ under hydrostatic pressure Wang, Bosen; Matsubayashi, Kazuyuki; Cheng, Jinguang Physical Review B, Vol. 94, Issue 2 https://doi.org/10.1103/PhysRevB.94.020502	journal	July 2016
Superconducting and magnetic phase diagram of ${RbEuFe}_{4} {As}_{4}$ and ${CsEuFe}_{4} {As}_{4}$ at high pressure Jackson, Daniel E.; VanGennep, Derrick; Bi, Wenli Physical Review B, Vol. 98, Issue 1 https://doi.org/10.1103/PhysRevB.98.014518	journal	July 2018
Refinement of the equation of state of tantalum Dewaele, Agnès; Loubeyre, Paul; Mezouar, Mohamed Physical Review B, Vol. 69, Issue 9 https://doi.org/10.1103/PhysRevB.69.092106	journal	March 2004
Electronic Properties and Fermi Surface for New Layered High-Temperature Superconductors CaAFe4As4 (A = K, Rb, and Cs): FLAPW-GGA Calculations Suetin, D. V.; Shein, I. R. Journal of Superconductivity and Novel Magnetism, Vol. 31, Issue 6 https://doi.org/10.1007/s10948-017-4404-y	journal	November 2017
Structural transition and anisotropic properties of single-crystalline ${SrFe}_{2} {As}_{2}$ Yan, J. -Q.; Kreyssig, A.; Nandi, S. Physical Review B, Vol. 78, Issue 2 https://doi.org/10.1103/PhysRevB.78.024516	journal	July 2008
Calibration of the pressure dependence of the R ₁ ruby fluorescence line to 195 kbar Piermarini, G. J.; Block, S.; Barnett, J. D. Journal of Applied Physics, Vol. 46, Issue 6 https://doi.org/10.1063/1.321957	journal	June 1975
Ab initiomolecular dynamics for liquid metals Kresse, G.; Hafner, J. Physical Review B, Vol. 47, Issue 1, p. 558-561 https://doi.org/10.1103/PhysRevB.47.558	journal	January 1993
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 Fe-Based Compound EuAFe ₄ As ₄ (A = Rb and Cs) Kawashima, Kenji; Kinjo, Tatsuya; Nishio, Taichiro Journal of the Physical Society of Japan, Vol. 85, Issue 6 https://doi.org/10.7566/JPSJ.85.064710	journal	June 2016
Suppression of magnetism and development of superconductivity within the collapsed tetragonal phase of ${Ca}_{0.67} {Sr}_{0.33} {Fe}_{2} {As}_{2}$ under pressure Jeffries, J. R.; Butch, N. P.; Kirshenbaum, K. Physical Review B, Vol. 85, Issue 18 https://doi.org/10.1103/PhysRevB.85.184501	journal	May 2012
High-pressure structural phase transitions in chromium-doped BaFe ₂ As ₂ Uhoya, W. O.; Montgomery, J. M.; Samudrala, G. K. Journal of Physics: Conference Series, Vol. 377 https://doi.org/10.1088/1742-6596/377/1/012016	journal	July 2012
Epitaxial diamond encapsulation of metal microprobes for high pressure experiments Weir, Samuel T.; Akella, Jagannadham; Aracne-Ruddle, Chantel Applied Physics Letters, Vol. 77, Issue 21 https://doi.org/10.1063/1.1326838	journal	November 2000
Superconductivity at 43 K in an iron-based layered compound LaO1-xFxFeAs Takahashi, Hiroki; Igawa, Kazumi; Arii, Kazunobu Nature, Vol. 453, Issue 7193 https://doi.org/10.1038/nature06972	journal	April 2008
Influence of multiband sign-changing superconductivity on vortex cores and vortex pinning in stoichiometric high- $T_{c} {CaKFe}_{4} {As}_{4}$ Fente, Antón; Meier, William R.; Kong, Tai Physical Review B, Vol. 97, Issue 13 https://doi.org/10.1103/PhysRevB.97.134501	journal	April 2018
${}^{75}{As}$ NMR Studies of Superconducting $LaFeAs O_{0.9} F_{0.1}$ Grafe, H. -J.; Paar, D.; Lang, G. Physical Review Letters, Vol. 101, Issue 4 https://doi.org/10.1103/PhysRevLett.101.047003	journal	July 2008
Anisotropic thermodynamic and transport properties of single-crystalline ${CaKFe}_{4} {As}_{4}$ Meier, W. R.; Kong, T.; Kaluarachchi, U. S. Physical Review B, Vol. 94, Issue 6 https://doi.org/10.1103/PhysRevB.94.064501	journal	August 2016
Pressure-temperature phase diagrams of $CaK ({Fe}_{1 - x} {Ni}_{x})_{4} {As}_{4}$ superconductors Xiang, Li; Meier, William R.; Xu, Mingyu Physical Review B, Vol. 97, Issue 17 https://doi.org/10.1103/PhysRevB.97.174517	journal	May 2018
Pressure-induced half-collapsed-tetragonal phase in ${CaKFe}_{4} {As}_{4}$ Kaluarachchi, Udhara S.; Taufour, Valentin; Sapkota, Aashish Physical Review B, Vol. 96, Issue 14 https://doi.org/10.1103/PhysRevB.96.140501	journal	October 2017
On the temperature correction to the ruby pressure scale Vos, Willem L.; Schouten, Jan A. Journal of Applied Physics, Vol. 69, Issue 9 https://doi.org/10.1063/1.348903	journal	May 1991
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
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
Superconductivity up to 29 K in SrFe ₂ As ₂ and BaFe ₂ As ₂ at high pressures Alireza, Patricia L.; Ko, Y. T. Chris; Gillett, Jack Journal of Physics: Condensed Matter, Vol. 21, Issue 1 https://doi.org/10.1088/0953-8984/21/1/012208	journal	December 2008
EXPGUI , a graphical user interface for GSAS Toby, Brian H. Journal of Applied Crystallography, Vol. 34, Issue 2 https://doi.org/10.1107/S0021889801002242	journal	April 2001
Unconventional Superconductivity with a Sign Reversal in the Order Parameter of ${LaFeAsO}_{1 - x} F_{x}$ Mazin, I. I.; Singh, D. J.; Johannes, M. D. Physical Review Letters, Vol. 101, Issue 5 https://doi.org/10.1103/PhysRevLett.101.057003	journal	July 2008
Magnetic phase diagram of the iron pnictides in the presence of spin-orbit coupling: Frustration between $C_{2}$ and $C_{4}$ magnetic phases Christensen, Morten H.; Orth, Peter P.; Andersen, Brian M. Physical Review B, Vol. 98, Issue 1 https://doi.org/10.1103/PhysRevB.98.014523	journal	July 2018
Hydrostatic-pressure tuning of magnetic, nonmagnetic, and superconducting states in annealed Ca(Fe $_{1 - x}$ Co $_{x}$ ) $_{2}$ As $_{2}$ Gati, E.; Köhler, S.; Guterding, D. Physical Review B, Vol. 86, Issue 22 https://doi.org/10.1103/PhysRevB.86.220511	journal	December 2012
New-Structure-Type Fe-Based Superconductors: Ca A Fe ₄ As ₄ ( A = K, Rb, Cs) and Sr A Fe ₄ As ₄ ( A = Rb, Cs) Iyo, Akira; Kawashima, Kenji; Kinjo, Tatsuya Journal of the American Chemical Society, Vol. 138, Issue 10 https://doi.org/10.1021/jacs.5b12571	journal	March 2016
Robust $s_{\pm}$ pairing in $CaK {({Fe}_{1 - x} {Ni}_{x})}_{4} {As}_{4}$ ( $x = 0$ and 0.05) from the response to electron irradiation Teknowijoyo, S.; Cho, K.; Kończykowski, M. Physical Review B, Vol. 97, Issue 14 https://doi.org/10.1103/PhysRevB.97.140508	journal	April 2018
Iron-Based Layered Superconductor: LaOFeP Kamihara, Yoichi; Hiramatsu, Hidenori; Hirano, Masahiro Journal of the American Chemical Society, Vol. 128, Issue 31 https://doi.org/10.1021/ja063355c	journal	August 2006
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Kresse, G.; Furthmüller, J. Physical Review B, Vol. 54, Issue 16, p. 11169-11186 https://doi.org/10.1103/PhysRevB.54.11169	journal	October 1996
Electronic structure and doping in ${BaFe}_{2} {As}_{2}$ and LiFeAs: Density functional calculations Singh, D. J. Physical Review B, Vol. 78, Issue 9 https://doi.org/10.1103/PhysRevB.78.094511	journal	September 2008
High-temperature superconductivity stabilized by electron-hole interband coupling in collapsed tetragonal phase of ${KFe}_{2} {As}_{2}$ under high pressure Nakajima, Yasuyuki; Wang, Renxiong; Metz, Tristin Physical Review B, Vol. 91, Issue 6 https://doi.org/10.1103/PhysRevB.91.060508	journal	February 2015
Formation of collapsed tetragonal phase in EuCo ₂ As ₂ under high pressure Bishop, Matthew; Uhoya, Walter; Tsoi, Georgiy Journal of Physics: Condensed Matter, Vol. 22, Issue 42 https://doi.org/10.1088/0953-8984/22/42/425701	journal	October 2010
FeAs-Based Superconductivity: A Case Study of the Effects of Transition Metal Doping on BaFe ₂ As ₂ Canfield, Paul C.; Bud'ko, Sergey L. Annual Review of Condensed Matter Physics, Vol. 1, Issue 1 https://doi.org/10.1146/annurev-conmatphys-070909-104041	journal	August 2010
Complete Fermi Surface in ${BaFe}_{2} {As}_{2}$ Observed via Shubnikov–de Haas Oscillation Measurements on Detwinned Single Crystals Terashima, Taichi; Kurita, Nobuyuki; Tomita, Megumi Physical Review Letters, Vol. 107, Issue 17 https://doi.org/10.1103/PhysRevLett.107.176402	journal	October 2011
Formation of As-As bond and its effect on absence of superconductivity in the collapsed tetragonal phase of ${Ca}_{0.86} \Pr_{0.14} {Fe}_{2} {As}_{2}$ : An optical spectroscopy study Yang, Run; Le, Congcong; Zhang, Lei Physical Review B, Vol. 91, Issue 22 https://doi.org/10.1103/PhysRevB.91.224507	journal	June 2015
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
Structure-dependent ferromagnetism in ${Au}_{4} V$ studied under high pressure Jackson, D. D.; Jeffries, J. R.; Qiu, Wei Physical Review B, Vol. 74, Issue 17 https://doi.org/10.1103/PhysRevB.74.174401	journal	November 2006
Optimization of the crystal growth of the superconductor ${CaKFe}_{4} {As}_{4}$ from solution in the $FeAs − {CaFe}_{2} {As}_{2} − {KFe}_{2} {As}_{2}$ system Meier, W. R.; Kong, T.; Bud'ko, S. L. Physical Review Materials, Vol. 1, Issue 1 https://doi.org/10.1103/PhysRevMaterials.1.013401	journal	June 2017
Control of magnetic, nonmagnetic, and superconducting states in annealed Ca(Fe $_{1 - x}$ Co $_{x}$ ) $_{2}$ As $_{2}$ Ran, S.; Bud'ko, S. L.; Straszheim, W. E. Physical Review B, Vol. 85, Issue 22 https://doi.org/10.1103/PhysRevB.85.224528	journal	June 2012
In-Plane Resistivity Anisotropy in an Underdoped Iron Arsenide Superconductor Chu, J. -H.; Analytis, J. G.; De Greve, K. Science, Vol. 329, Issue 5993 https://doi.org/10.1126/science.1190482	journal	August 2010
Formation of As-As Interlayer Bonding in the collapsed tetragonal phase of NaFe2As2 under pressure Stavrou, Elissaios; Chen, Xiao-Jia; Oganov, Artem R. Scientific Reports, Vol. 5, Issue 1 https://doi.org/10.1038/srep09868	journal	May 2015
Superconductivity at 22 K in Co-Doped ${BaFe}_{2} {As}_{2}$ Crystals Sefat, Athena S.; Jin, Rongying; McGuire, Michael A. Physical Review Letters, Vol. 101, Issue 11 https://doi.org/10.1103/PhysRevLett.101.117004	journal	September 2008
Superconductivity at 43 K in SmFeAsO1-xF x Chen, X. H.; Wu, T.; Wu, G. Nature, Vol. 453, Issue 7196 https://doi.org/10.1038/nature07045	journal	May 2008
Pressure dependence of the BaFe $_{2}$ As $_{2}$ Fermi surface within the spin density wave state Graf, D.; Stillwell, R.; Murphy, T. P. Physical Review B, Vol. 85, Issue 13 https://doi.org/10.1103/PhysRevB.85.134503	journal	April 2012
Enhancement of the Superconducting Gap by Nesting in ${CaKFe}_{4} {As}_{4}$ : A New High Temperature Superconductor Mou, Daixiang; Kong, Tai; Meier, William R. Physical Review Letters, Vol. 117, Issue 27 https://doi.org/10.1103/PhysRevLett.117.277001	journal	December 2016
Two-dimensional detector software: From real detector to idealised image or two-theta scan Hammersley, A. P.; Svensson, S. O.; Hanfland, M. High Pressure Research, Vol. 14, Issue 4-6, p. 235-248 https://doi.org/10.1080/08957959608201408	journal	January 1996
Electronic structure calculations of solids using the WIEN2k package for material sciences Schwarz, K.; Blaha, P.; Madsen, G. K. H. Computer Physics Communications, Vol. 147, Issue 1-2 https://doi.org/10.1016/S0010-4655(02)00206-0	journal	August 2002
Iron-Based Layered Superconductor: LaOFeP. Kamihara, Yoichi; Hiramatsu, Hidenori; Hirano, Masahiro ChemInform, Vol. 37, Issue 45 https://doi.org/10.1002/chin.200645012	journal	November 2006
Reducing Dzyaloshinskii-Moriya interaction and field-free spin-orbit torque switching in synthetic antiferromagnets Chen, Ruyi; Cui, Qirui; Liao, Liyang Nature Communications, Vol. 12, Issue 1 https://doi.org/10.1038/s41467-021-23414-3	journal	May 2021
High-resolution X-ray luminescence extension imaging Ou, Xiangyu; Qin, Xian; Huang, Bolong Nature, Vol. 590, Issue 7846 https://doi.org/10.1038/s41586-021-03251-6	journal	February 2021
Electronic structure of AlFeN films exhibiting crystallographic orientation change from c- to a-axis with Fe concentrations and annealing effect Tatemizo, Nobuyuki; Imada, Saki; Okahara, Kizuna Scientific Reports, Vol. 10, Issue 1 https://doi.org/10.1038/s41598-020-58835-5	journal	February 2020
To What Extent Iron-Pnictide New Superconductors Have Been Clarified: A Progress Report Ishida, Kenji; Nakai, Yusuke; Hosono, Hideo arXiv https://doi.org/10.48550/arxiv.0906.2045	text	January 2009
FeAs-based superconductivity: a case study of the effects of transition metal doping on BaFe2As2 Canfield, Paul C.; Bud'ko, Sergey L. arXiv https://doi.org/10.48550/arxiv.1002.0858	text	January 2010
High-temperature superconductivity in iron-based materials Paglione, Johnpierre; Greene, Richard L. arXiv https://doi.org/10.48550/arxiv.1006.4618	text	January 2010
Refinement of the equation of state of tantalum Dewaele, Agnes; Loubeyre, Paul; Mezouar, Mohamed arXiv https://doi.org/10.48550/arxiv.cond-mat/0403080	text	January 2004