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Title: Pressure-induced half-collapsed-tetragonal phase in CaKFe 4 As 4

Abstract

Here, we report the temperature-pressure phase diagram of CaKFe 4As 4 established using high-pressure electrical resistivity, magnetization, and high-energy x-ray diffraction measurements up to 6 GPa. With increasing pressure, both resistivity and magnetization data show that the bulk superconducting transition of CaKFe 4As 4 is suppressed and then disappears at p ≳ 4 GPa. High-pressure x-ray data clearly indicate a phase transition to a collapsed tetragonal phase in CaKFe 4As 4 under pressure that coincides with the abrupt loss of bulk superconductivity near 4 GPa. The x-ray data, combined with resistivity data, indicate that the collapsed tetragonal transition line is essentially independent of pressure, occurring at 4.0(5) GPa for temperatures below 150 K. Density functional theory calculations also find a sudden transition to a collapsed tetragonal state near 4 GPa, as As-As bonding develops across the Ca layer. Bonding across the K layer only occurs for p ≥ 12 GPa. These findings demonstrate a different type of collapsed tetragonal phase in CaKFe 4As 4 as compared to CaFe 2As 2: a half-collapsed tetragonal phase.

Authors:
 [1];  [2];  [1];  [3];  [4];  [1];  [1];  [1];  [1];  [3];  [1];  [1];  [1];  [1]
  1. Ames Lab. and Iowa State Univ., Ames, IA (United States)
  2. Ames Lab. and Iowa State Univ., Ames, IA (United States); Univ. of California, Davis, CA (United States)
  3. Goethe Univ. Frankfurt am Main, Frankfurt am Main (Germany)
  4. Ames Lab. and Iowa State Univ., Ames, IA (United States); Princeton Univ., Princeton, NJ (United States)
Publication Date:
Research Org.:
Ames Laboratory (AMES), Ames, IA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1406563
Alternate Identifier(s):
OSTI ID: 1395910
Report Number(s):
IS-J-9469
Journal ID: ISSN 2469-9950; PRBMDO; TRN: US1703266
Grant/Contract Number:  
AC02-07CH11358; AC02-06CH11357; SFB/TR49
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 96; Journal Issue: 14; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY

Citation Formats

Kaluarachchi, Udhara S., Taufour, Valentin, Sapkota, Aashish, Borisov, Vladislav, Kong, Tai, Meier, William R., Kothapalli, Karunakar, Ueland, Benjamin G., Kreyssig, Andreas, Valenti, Roser, McQueeney, Robert J., Goldman, Alan I., Bud'ko, Sergey L., and Canfield, Paul C. Pressure-induced half-collapsed-tetragonal phase in CaKFe4As4. United States: N. p., 2017. Web. doi:10.1103/PhysRevB.96.140501.
Kaluarachchi, Udhara S., Taufour, Valentin, Sapkota, Aashish, Borisov, Vladislav, Kong, Tai, Meier, William R., Kothapalli, Karunakar, Ueland, Benjamin G., Kreyssig, Andreas, Valenti, Roser, McQueeney, Robert J., Goldman, Alan I., Bud'ko, Sergey L., & Canfield, Paul C. Pressure-induced half-collapsed-tetragonal phase in CaKFe4As4. United States. doi:10.1103/PhysRevB.96.140501.
Kaluarachchi, Udhara S., Taufour, Valentin, Sapkota, Aashish, Borisov, Vladislav, Kong, Tai, Meier, William R., Kothapalli, Karunakar, Ueland, Benjamin G., Kreyssig, Andreas, Valenti, Roser, McQueeney, Robert J., Goldman, Alan I., Bud'ko, Sergey L., and Canfield, Paul C. Mon . "Pressure-induced half-collapsed-tetragonal phase in CaKFe4As4". United States. doi:10.1103/PhysRevB.96.140501. https://www.osti.gov/servlets/purl/1406563.
@article{osti_1406563,
title = {Pressure-induced half-collapsed-tetragonal phase in CaKFe4As4},
author = {Kaluarachchi, Udhara S. and Taufour, Valentin and Sapkota, Aashish and Borisov, Vladislav and Kong, Tai and Meier, William R. and Kothapalli, Karunakar and Ueland, Benjamin G. and Kreyssig, Andreas and Valenti, Roser and McQueeney, Robert J. and Goldman, Alan I. and Bud'ko, Sergey L. and Canfield, Paul C.},
abstractNote = {Here, we report the temperature-pressure phase diagram of CaKFe4As4 established using high-pressure electrical resistivity, magnetization, and high-energy x-ray diffraction measurements up to 6 GPa. With increasing pressure, both resistivity and magnetization data show that the bulk superconducting transition of CaKFe4As4 is suppressed and then disappears at p ≳ 4 GPa. High-pressure x-ray data clearly indicate a phase transition to a collapsed tetragonal phase in CaKFe4As4 under pressure that coincides with the abrupt loss of bulk superconductivity near 4 GPa. The x-ray data, combined with resistivity data, indicate that the collapsed tetragonal transition line is essentially independent of pressure, occurring at 4.0(5) GPa for temperatures below 150 K. Density functional theory calculations also find a sudden transition to a collapsed tetragonal state near 4 GPa, as As-As bonding develops across the Ca layer. Bonding across the K layer only occurs for p ≥ 12 GPa. These findings demonstrate a different type of collapsed tetragonal phase in CaKFe4As4 as compared to CaFe2As2: a half-collapsed tetragonal phase.},
doi = {10.1103/PhysRevB.96.140501},
journal = {Physical Review B},
number = 14,
volume = 96,
place = {United States},
year = {2017},
month = {10}
}

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Works referenced in this record:

A diamond anvil cell for the investigation of superconductivity under pressures of up to 50 GPa: Pb as a low temperature manometer
journal, September 1988


Similarities between structural distortions under pressure and chemical doping in superconducting BaFe2As2
journal, May 2009

  • Kimber, Simon A. J.; Kreyssig, Andreas; Zhang, Yu-Zhong
  • Nature Materials, Vol. 8, Issue 6
  • DOI: 10.1038/nmat2443

Tuning the ground state of BaFe 2 As 2 : Phase diagrams and empirical trends
journal, August 2011


Projector augmented-wave method
journal, December 1994


Sudden reversal in the pressure dependence of Tc in the iron-based superconductor KFe2As2
journal, May 2013

  • Tafti, F. F.; Juneau-Fecteau, A.; Delage, M-È.
  • Nature Physics, Vol. 9, Issue 6
  • DOI: 10.1038/nphys2617

Superconductivity at 35.5 K in K-Doped CaFe2As2
journal, March 2013

  • Wang, D. M.; Shangguan, X. C.; He, J. B.
  • Journal of Superconductivity and Novel Magnetism, Vol. 26, Issue 6
  • DOI: 10.1007/s10948-013-2169-5

Online remote control systems for static and dynamic compression and decompression using diamond anvil cells
journal, July 2015

  • Sinogeikin, Stanislav V.; Smith, Jesse S.; Rod, Eric
  • Review of Scientific Instruments, Vol. 86, Issue 7
  • DOI: 10.1063/1.4926892

From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999


Iron-Based Layered Superconductor La[O 1- x F x ]FeAs ( x = 0.05−0.12) with T c = 26 K
journal, March 2008

  • Kamihara, Yoichi; Watanabe, Takumi; Hirano, Masahiro
  • Journal of the American Chemical Society, Vol. 130, Issue 11
  • DOI: 10.1021/ja800073m

Conventional empirical law reverses in the phase transitions of 122-type iron-based superconductors
journal, November 2014

  • Yu, Zhenhai; Wang, Lin; Wang, Luhong
  • Scientific Reports, Vol. 4, Issue 1
  • DOI: 10.1038/srep07172

Phase transition and superconductivity of SrFe 2 As 2 under high pressure
journal, March 2011

  • Uhoya, Walter O.; Montgomery, Jeffrey M.; Tsoi, Georgiy M.
  • Journal of Physics: Condensed Matter, Vol. 23, Issue 12
  • DOI: 10.1088/0953-8984/23/12/122201

Complete pressure-dependent phase diagrams for SrFe 2 As 2 and BaFe 2 As 2
journal, June 2009


Synthesis and properties of CaFe 2 As 2 single crystals
journal, July 2008


Absence of superconductivity in the collapsed tetragonal phase of KF e 2 A s 2 under hydrostatic pressure
journal, July 2016


In-plane uniaxial stress effects on the structural and electronic properties of BaFe 2 As 2 and CaFe 2 As 2
journal, May 2013


Structural phase transitions in EuFe 2 As 2 superconductor at low temperatures and high pressures
journal, August 2011


Origin of the superconducting state in the collapsed tetragonal phase of KFe 2 As 2
journal, April 2015


Calibration of the pressure dependence of the R 1 ruby fluorescence line to 195 kbar
journal, June 1975

  • Piermarini, G. J.; Block, S.; Barnett, J. D.
  • Journal of Applied Physics, Vol. 46, Issue 6
  • DOI: 10.1063/1.321957

Ab initiomolecular dynamics for liquid metals
journal, January 1993


Pressure effects on two superconducting iron-based families
journal, September 2011


Upper critical field of K Fe 2 As 2 under pressure: A test for the change in the superconducting gap structure
journal, June 2014


Dramatic changes in the electronic structure upon transition to the collapsed tetragonal phase in CaFe 2 As 2
journal, January 2014


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
journal, February 2011


Coexistence of the spin-density wave and superconductivity in Ba 1−x K x Fe 2 As 2
journal, January 2009


Two distinct superconducting states in KFe 2 As 2 under high pressure
journal, April 2014


Superconductivity at 43 K in an iron-based layered compound LaO1-xFxFeAs
journal, April 2008

  • Takahashi, Hiroki; Igawa, Kazumi; Arii, Kazunobu
  • Nature, Vol. 453, Issue 7193
  • DOI: 10.1038/nature06972

First-order structural phase transition in CaFe 2 As 2
journal, July 2008


Anisotropic thermodynamic and transport properties of single-crystalline CaKFe 4 As 4
journal, August 2016


Pressure transmitting medium Daphne 7474 solidifying at 3.7 GPa at room temperature
journal, August 2008

  • Murata, Keizo; Yokogawa, Keiichi; Yoshino, Harukazu
  • Review of Scientific Instruments, Vol. 79, Issue 8
  • DOI: 10.1063/1.2964117

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996


Pressure Induced Superconductivity in CaFe 2 As 2
journal, July 2008


Superconductivity up to 29 K in SrFe 2 As 2 and BaFe 2 As 2 at high pressures
journal, December 2008


Collapsed tetragonal phase and superconductivity of BaFe 2 As 2 under high pressure
journal, October 2010


Hydrostatic-pressure tuning of magnetic, nonmagnetic, and superconducting states in annealed Ca(Fe 1 x Co x ) 2 As 2
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)
journal, March 2016

  • Iyo, Akira; Kawashima, Kenji; Kinjo, Tatsuya
  • Journal of the American Chemical Society, Vol. 138, Issue 10
  • DOI: 10.1021/jacs.5b12571

Pressure-induced volume-collapsed tetragonal phase of CaFe 2 As 2 as seen via neutron scattering
journal, November 2008


Developments on Susceptibility and Magnetization Measurements under High Hydrostatic Pressure
journal, January 2007

  • Lebre Alireza, Patricia; Barakat, Samira; Cumberlidge, Anne-Marie
  • Journal of the Physical Society of Japan, Vol. 76, Issue Suppl.A
  • DOI: 10.1143/JPSJS.76SA.216

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996


High-temperature superconductivity stabilized by electron-hole interband coupling in collapsed tetragonal phase of KFe 2 As 2 under high pressure
journal, February 2015


Simple adaptation of the Bridgman high pressure technique for use with liquid media
journal, September 2007

  • Colombier, E.; Braithwaite, D.
  • Review of Scientific Instruments, Vol. 78, Issue 9
  • DOI: 10.1063/1.2778629

Superconductivity and phase diagram in iron-based arsenic-oxides ReFeAsO 1−δ (Re = rare-earth metal) without fluorine doping
journal, June 2008


Hydrostatic limits in liquids and solids to 100 kbar
journal, December 1973

  • Piermarini, G. J.; Block, S.; Barnett, J. D.
  • Journal of Applied Physics, Vol. 44, Issue 12
  • DOI: 10.1063/1.1662159

Superconducting Fe-Based Compounds ( A 1 x Sr x ) Fe 2 As 2 with A = K and Cs with Transition Temperatures up to 37 K
journal, September 2008


Superconductivity at 38 K in the Iron Arsenide ( Ba 1 x K x ) Fe 2 As 2
journal, September 2008


FeAs-Based Superconductivity: A Case Study of the Effects of Transition Metal Doping on BaFe 2 As 2
journal, August 2010


Absence of superconductivity in single-phase CaFe 2 As 2 under hydrostatic pressure
journal, January 2009


Superconductivity and Crystal Structures of (Ba 1− x K x )Fe 2 As 2 ( x =0-1)
journal, September 2008

  • Rotter, Marianne; Pangerl, Michael; Tegel, Marcus
  • Angewandte Chemie International Edition, Vol. 47, Issue 41
  • DOI: 10.1002/anie.200803641

Control of magnetic, nonmagnetic, and superconducting states in annealed Ca(Fe 1 x Co x ) 2 As 2
journal, June 2012


Lattice collapse and quenching of magnetism in CaFe 2 As 2 under pressure: A single-crystal neutron and x-ray diffraction investigation
journal, January 2009


Uniaxial versus hydrostatic pressure-induced phase transitions in CaFe 2 As 2 and BaFe 2 As 2
journal, March 2012


Anomalous compressibility effects and superconductivity of EuFe 2 As 2 under high pressures
journal, June 2010