Tuning magnetic coercivity with external pressure in iron-rhenium based ferrimagnetic double perovskites

Escanhoela, C. A.; Fabbris, G.; Sun, F.; Park, C.; Gopalakrishnan, J.; Ramesha, K.; Granado, E.; Souza-Neto, N. M.; van Veenendaal, M.; Haskel, D.

doi:10.1103/PhysRevB.98.054402

Title: Tuning magnetic coercivity with external pressure in iron-rhenium based ferrimagnetic double perovskites

Abstract

We studied the effect of physical pressure on the electronic and magnetic properties of ferrimagnetic double perovskites A₂FeReO₆ (A = Ca, Ba) using Re L_2,3 edge x-ray absorption spectroscopy and powder diffraction measurements. Volume compression is shown to dramatically increase the magnetic coercivity (H_c) in polycrystalline samples of both compounds with ΔH_c/ΔV similar to 150-200 Oe/Å³. A nearly eight-fold increase in H_c, from 0.2 to 1.55 T, is obtained in Ba₂FeReO₆ at P = 29 GPa. While no signs of structural phase transitions are seen in either sample to similar to 30 GPa, the structural data points to a pressure-driven increase in tetragonal distortion of ReO₆ octahedra. A sizable but pressure-independent Re orbital-to-spin magnetic moment ratio is observed, pointing to the critical role of spin-orbit interactions at Re sites. We present a J(eff) description of the electronic structure that combines effects of crystal field and spin-orbit coupling on the Re 5d² orbitals and use this description to provide insight into the pressure-induced enhancement of magnetic anisotropy.

Authors:

Escanhoela, C. A. ^[1]; Fabbris, G. ^[2]; Sun, F. ^[3]; Park, C. ^[4]; Gopalakrishnan, J. ^[5]; Ramesha, K. ^[5]; Granado, E. ^[6]; Souza-Neto, N. M. ^[7]; van Veenendaal, M. ^[8]; Haskel, D. ^[2]

Brazilian Synchrotron Light Lab., Campinas (Brazil); Argonne National Lab. (ANL), Argonne, IL (United States)
Argonne National Lab. (ANL), Argonne, IL (United States)
Argonne National Lab. (ANL), Argonne, IL (United States); Center for High Pressure Science and Technology Advanced Research, Shanghai (China)
Carnegie Inst. of Washington, Argonne, IL (United States). Geophysical Lab., High Pressure Collaborative Access Team (HPCAT)
Indian Inst. of Science, Bangalore (India)
Univ. of Campinas (UNICAMP), Sao Paulo (Brazil)
Brazilian Synchrotron Light Lab., Campinas (Brazil)
Argonne National Lab. (ANL), Argonne, IL (United States); Northern Illinois Univ., DeKalb, IL (United States)

Publication Date:: Thu Aug 02 00:00:00 EDT 2018

Research Org.:: Argonne National Lab. (ANL), Argonne, IL (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE National Nuclear Security Administration (NNSA)

OSTI Identifier:: 1465770

Alternate Identifier(s):: OSTI ID: 1462588

Grant/Contract Number:: AC02-06CH11357; AC-02-06CH11357; FG02-99ER45775; FG02-03ER46097; NA0001974

Resource Type:: Accepted Manuscript

Journal Name:: Physical Review B

Additional Journal Information:: Journal Volume: 98; Journal Issue: 5; 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


                    Escanhoela, C. A., Fabbris, G., Sun, F., Park, C., Gopalakrishnan, J., Ramesha, K., Granado, E., Souza-Neto, N. M., van Veenendaal, M., and Haskel, D. Tuning magnetic coercivity with external pressure in iron-rhenium based ferrimagnetic double perovskites.  United States: N. p., 2018. 
Web.  doi:10.1103/PhysRevB.98.054402.

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                    Escanhoela, C. A., Fabbris, G., Sun, F., Park, C., Gopalakrishnan, J., Ramesha, K., Granado, E., Souza-Neto, N. M., van Veenendaal, M., & Haskel, D. Tuning magnetic coercivity with external pressure in iron-rhenium based ferrimagnetic double perovskites.  United States.  https://doi.org/10.1103/PhysRevB.98.054402

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                    Escanhoela, C. A., Fabbris, G., Sun, F., Park, C., Gopalakrishnan, J., Ramesha, K., Granado, E., Souza-Neto, N. M., van Veenendaal, M., and Haskel, D. Thu .  
"Tuning magnetic coercivity with external pressure in iron-rhenium based ferrimagnetic double perovskites".  United States.  https://doi.org/10.1103/PhysRevB.98.054402.  https://www.osti.gov/servlets/purl/1465770.

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@article{osti_1465770,

  title        = {Tuning magnetic coercivity with external pressure in iron-rhenium based ferrimagnetic double perovskites},

  author       = {Escanhoela, C. A. and Fabbris, G. and Sun, F. and Park, C. and Gopalakrishnan, J. and Ramesha, K. and Granado, E. and Souza-Neto, N. M. and van Veenendaal, M. and Haskel, D.},

  abstractNote = {We studied the effect of physical pressure on the electronic and magnetic properties of ferrimagnetic double perovskites A2FeReO6 (A = Ca, Ba) using Re L2,3 edge x-ray absorption spectroscopy and powder diffraction measurements. Volume compression is shown to dramatically increase the magnetic coercivity (Hc) in polycrystalline samples of both compounds with ΔHc/ΔV similar to 150-200 Oe/Å3. A nearly eight-fold increase in Hc, from 0.2 to 1.55 T, is obtained in Ba2FeReO6 at P = 29 GPa. While no signs of structural phase transitions are seen in either sample to similar to 30 GPa, the structural data points to a pressure-driven increase in tetragonal distortion of ReO6 octahedra. A sizable but pressure-independent Re orbital-to-spin magnetic moment ratio is observed, pointing to the critical role of spin-orbit interactions at Re sites. We present a J(eff) description of the electronic structure that combines effects of crystal field and spin-orbit coupling on the Re 5d2 orbitals and use this description to provide insight into the pressure-induced enhancement of magnetic anisotropy.},

  doi          = {10.1103/PhysRevB.98.054402},

  journal      = {Physical Review B},

  number       = 5,

  volume       = 98,

  place        = {United States},

  year         = {Thu Aug 02 00:00:00 EDT 2018},

  month        = {Thu Aug 02 00:00:00 EDT 2018}

}

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Mott Insulators in the Strong Spin-Orbit Coupling Limit: From Heisenberg to a Quantum Compass and Kitaev Models
journal, January 2009

Jackeli, G.; Khaliullin, G.
Physical Review Letters, Vol. 102, Issue 1
DOI: 10.1103/PhysRevLett.102.017205

Compounds of Osmium and Rhenium with the Ordered Perovskite Structure
journal, May 1962

Sleight, Arthur W.; Longo, John; Ward, Roland
Inorganic Chemistry, Vol. 1, Issue 2
DOI: 10.1021/ic50002a010

Electronic structure and local magnetism of 3 d –5 d impurity substituted CeFe ₂
journal, March 2016

Das, Rakesh; Das, G. P.; Srivastava, S. K.
Journal of Physics D: Applied Physics, Vol. 49, Issue 16
DOI: 10.1088/0022-3727/49/16/165004

X-ray powder diffraction beamline at D10B of LNLS: application to the Ba ₂ FeReO ₆ double perovskite
journal, December 2005

Ferreira, Fabio Furlan; Granado, Eduardo; Carvalho Jr, Wilson
Journal of Synchrotron Radiation, Vol. 13, Issue 1
DOI: 10.1107/S0909049505039208

Theory of the Role of Covalence in the Perovskite-Type Manganites $[La, M (II)] Mn O_{3}$
journal, October 1955

Goodenough, John B.
Physical Review, Vol. 100, Issue 2
DOI: 10.1103/PhysRev.100.564

Incipient Orbital Order in Half-Metallic ${Ba}_{2} {FeReO}_{6}$
journal, January 2007

Azimonte, C.; Cezar, J. C.; Granado, E.
Physical Review Letters, Vol. 98, Issue 1
DOI: 10.1103/PhysRevLett.98.017204

Structural, electronic, and magnetic properties of double perovskite Pb ₂ FeReO ₆ thin films with (001) orientation and three possible terminations
journal, June 2017

Zhang, Yan; Duan, Li; Ji, Vincent
Surface and Interface Analysis, Vol. 49, Issue 10
DOI: 10.1002/sia.6252

Works referencing / citing this record:

Zero-field-cooled exchange bias effect in phase-segregated ${La}_{2 - x} A_{x} {CoMnO}_{6 - δ} (A = Ba,Ca,Sr; x = 0, 0.5)$
journal, August 2019

Coutrim, L. T.; Rigitano, D.; Macchiutti, C.
Physical Review B, Vol. 100, Issue 5
DOI: 10.1103/physrevb.100.054428

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Title: Tuning magnetic coercivity with external pressure in iron-rhenium based ferrimagnetic double perovskites

Abstract

Citation Formats

Structural and magnetic study of the double-perovskites Ba2(Fe, B′)2O6 (B′= Mo, W and Re) journal, May 2004

First-principles investigations of orbital magnetic moments and electronic structures of the double perovskites Sr 2 FeMoO 6 , Sr 2 FeReO 6 , and Sr 2 CrWO 6 journal, March 2003

Large effects of A -site average cation size on the properties of the double perovskites Ba 2 − x Sr x MnReO 6 : A d 5 − d 1 system journal, January 2003

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Experimental Confirmation of the X-Ray Magnetic Circular Dichroism Sum Rules for Iron and Cobalt journal, July 1995

Electronic structure and x-ray magnetic circular dichroism in A 2 FeReO 6 ( A = Ca , Sr , and Ba ) oxides journal, July 2016

Structural and magnetic properties of (Sr[sub 2−x]Ca[sub x])FeReO[sub 6] journal, January 2002

Magnetic ordering in Ba2MnReO6 journal, February 1975

High pressure investigation on double perovskite Ba2MgWO6 journal, June 2011

Properties of the ferrimagnetic double perovskites A 2 FeReO 6 (A = Ba and Ca) journal, January 2000

Spin-Electron-Phonon Excitation in Re-based Half-Metallic Double Perovskites journal, April 2012

The Materials Science of Functional Oxide Thin Films journal, October 2009

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B-cation arrangements in double perovskites journal, January 1993

Antiferromagnetism. Theory of Superexchange Interaction journal, July 1950

X-ray circular dichroism and local magnetic fields journal, February 1993

Structural Distortion on Metal–Insulator Transition in Ordered Double Perovskite Ca 2 FeReO 6 journal, June 2003

Double perovskites with ferromagnetism above room temperature journal, December 2006

Structural and magnetic properties of the 5 d 2 double perovskites Sr 2 B ReO 6 ( B = Y , In) journal, June 2016

Total energy and band structure of the 3 d , 4 d , and 5 d metals journal, March 1992

An interpretation of the magnetic properties of the perovskite-type mixed crystals La1−xSrxCoO3−λ journal, August 1958

Bragg transmission phase plates for the production of circularly polarized x rays journal, February 1995

Superexchange interaction and symmetry properties of electron orbitals journal, July 1959

Giant magnetostriction in Ca2FeReO6 double perovskite journal, April 2005

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

Spiral magnetic phase in Li-doped Na 2 IrO 3 journal, May 2015

Finite strain isotherm and velocities for single-crystal and polycrystalline NaCl at high pressures and 300°K journal, January 1978

Metal-insulator transition of ferromagnetic ordered double perovskites: ( Sr 1 − y Ca y ) 2 FeReO 6 journal, March 2002

An X-Ray Phase Plate Using Bragg-Case Diffraction journal, March 1991

Magnetism in Re-based ferrimagnetic double perovskites journal, July 2009

Magnetic spectroscopy at high pressures using X-ray magnetic circular dichroism journal, September 2008

Finite-strain equation of state for high-pressure phases journal, December 1981

Pressure Tuning of the Spin-Orbit Coupled Ground State in Sr 2 IrO 4 journal, July 2012

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Field-induced magnetostructural phase transition in double perovskite Ca 2 FeReO 6 studied via x-ray magnetic circular dichroism journal, June 2009

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Electronic structure study of double perovskites A 2 FeReO 6 ( A = B a , S r , C a ) and Sr 2 M MoO 6 ( M = C r , M n , F e , C o ) by LSDA and LSDA + U journal, September 2001

Crystal structure and magnetism of the double perovskites A2FeReO6 (A=Ca, Sr, Ba) journal, May 2004

Impact of cation size on magnetic properties of ( A A ′ ) 2 FeReO 6 double perovskites journal, April 2004

Electronic structure of Sr2FeMoO6 journal, July 2002

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The importance of the magnetic dipole term in magneto-circular x-ray absorption dichroism for 3d transition metal compounds journal, May 1996

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Electric field control of magnetism in multiferroic heterostructures journal, July 2012

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Ab-initio structure determination of LiSbWO6 by X-ray powder diffraction journal, March 1988

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Solidification and loss of hydrostaticity in liquid media used for pressure measurements journal, December 2015

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Mott Insulators in the Strong Spin-Orbit Coupling Limit: From Heisenberg to a Quantum Compass and Kitaev Models journal, January 2009

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journal, May 2004

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journal, March 2003

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journal, January 2003

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Electronic structure and x-ray magnetic circular dichroism in $A_{2} {FeReO}_{6} (A = Ca, Sr, and Ba)$ oxides
journal, July 2016

Structural and magnetic properties of (Sr[sub 2−x]Ca[sub x])FeReO[sub 6]
journal, January 2002

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journal, February 1975

High pressure investigation on double perovskite Ba2MgWO6
journal, June 2011

Properties of the ferrimagnetic double perovskites A ₂ FeReO ₆ (A = Ba and Ca)
journal, January 2000

Spin-Electron-Phonon Excitation in Re-based Half-Metallic Double Perovskites
journal, April 2012

The Materials Science of Functional Oxide Thin Films
journal, October 2009

GSAS-II : the genesis of a modern open-source all purpose crystallography software package
journal, March 2013

B-cation arrangements in double perovskites
journal, January 1993

Antiferromagnetism. Theory of Superexchange Interaction
journal, July 1950

X-ray circular dichroism and local magnetic fields
journal, February 1993

Structural Distortion on Metal–Insulator Transition in Ordered Double Perovskite Ca ₂ FeReO ₆
journal, June 2003

Double perovskites with ferromagnetism above room temperature
journal, December 2006

Structural and magnetic properties of the $5 d^{2}$ double perovskites ${Sr}_{2} B {ReO}_{6}$ ( $B = Y$ , In)
journal, June 2016

Total energy and band structure of the 3 d , 4 d , and 5 d metals
journal, March 1992

An interpretation of the magnetic properties of the perovskite-type mixed crystals La1−xSrxCoO3−λ
journal, August 1958

Bragg transmission phase plates for the production of circularly polarized x rays
journal, February 1995

Superexchange interaction and symmetry properties of electron orbitals
journal, July 1959

Giant magnetostriction in Ca2FeReO6 double perovskite
journal, April 2005

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

Spiral magnetic phase in Li-doped ${Na}_{2} {IrO}_{3}$
journal, May 2015

Finite strain isotherm and velocities for single-crystal and polycrystalline NaCl at high pressures and 300°K
journal, January 1978

Metal-insulator transition of ferromagnetic ordered double perovskites: $({Sr}_{1 - y} {Ca}_{y})_{2} {FeReO}_{6}$
journal, March 2002

An X-Ray Phase Plate Using Bragg-Case Diffraction
journal, March 1991

Magnetism in Re-based ferrimagnetic double perovskites
journal, July 2009

Magnetic spectroscopy at high pressures using X-ray magnetic circular dichroism
journal, September 2008

Finite-strain equation of state for high-pressure phases
journal, December 1981

Pressure Tuning of the Spin-Orbit Coupled Ground State in ${Sr}_{2} {IrO}_{4}$
journal, July 2012

A2B′B″O6 perovskites: A review
journal, May 2015

Field-induced magnetostructural phase transition in double perovskite ${Ca}_{2} {FeReO}_{6}$ studied via x-ray magnetic circular dichroism
journal, June 2009

First principles study of magnetic and electronic properties of A 2 BB′O 6 (A = Ba, Sr) (BB′ = FeRe, MnMo, and MnRe) double perovskites
journal, November 2017

Electronic structure study of double perovskites $A_{2} {FeReO}_{6} (A = B a, S r, C a)$ and ${Sr}_{2} M {MoO}_{6}$ $(M = C r, M n, F e, C o)$ by LSDA and $LSDA + U$
journal, September 2001

Crystal structure and magnetism of the double perovskites A2FeReO6 (A=Ca, Sr, Ba)
journal, May 2004

Impact of cation size on magnetic properties of ${(A A}^{'})_{2} {FeReO}_{6}$ double perovskites
journal, April 2004

Electronic structure of Sr2FeMoO6
journal, July 2002

Magnetic and electrical properties of Ba2MReO6 ordered perovskites
journal, January 1972

Effects of chemical pressure on the magnetic ground states of the osmate double perovskites $SrCaCoOs O_{6}$ and $C a_{2} CoOs O_{6}$
journal, September 2015

Accurate electronic free energies of the $3 d, 4 d$ , and $5 d$ transition metals at high temperatures
journal, April 2017

Theory of half-metallic double perovskites. II. Effective spin Hamiltonian and disorder effects
journal, April 2013

Mössbauer Study on the Ordered Double Perovskite A ₂ FeReO ₆ (A = Ca, Sr)
journal, February 2003

Polarization control of an X-ray free-electron laser with a diamond phase retarder
journal, April 2014

Chemical-pressure tailoring of low-field, room-temperature magnetoresistance in (Ca, Sr, Ba)Fe0.5Mo0.5O3
journal, July 2001

Spintronic oxides grown by laser-MBE
journal, December 2011

Spin-orbital ordering and mesoscopic phase separation in the double perovskite ${Ca}_{2} {FeReO}_{6}$
journal, August 2002

Structural and electronic properties of the ordered double perovskites $A_{2} M {ReO}_{6}$ $(A$ =Sr,Ca; $M$ =Mg,Sc,Cr,Mn,Fe,Co,Ni,Zn)
journal, May 2004

Magnetism in Ca ₂ CoOsO ₆ and Ca ₂ NiOsO ₆ : Unraveling the Mystery of Superexchange Interactions between 3d and 5d Ions
journal, May 2016

The perovskite structure—a review of its role in ceramic science and technology
journal, November 2000

Oxygen-octahedral distortion and electronic correlation induced semiconductor gaps in ferrimagnetic double perovskite Ca ₂ MReO ₆ (M = Cr, Fe)
journal, January 2015

X-ray magnetic circular dichroism study of Re 5d magnetism in Sr2CrReO6
journal, November 2005

Nuclear magnetic resonance studies of materials for spintronic applications
journal, August 2008

NMR study of A2FeMO6 (A=Ca, Sr, Ba, M=Mo, Re) double perovskites
journal, May 2004

Investigation of the local Fe magnetic moments at the grain boundaries of the Ca2FeReO6 double perovskite
journal, May 2007

Pseudo-half-metallicity in the double perovskite Sr2CrReO6 from density-functional calculations
journal, January 2005

The importance of the magnetic dipole term in magneto-circular x-ray absorption dichroism for 3d transition metal compounds
journal, May 1996

Orbital Magnetism and Spin-Orbit Effects in the Electronic Structure of ${BaIrO}_{3}$
journal, November 2010

Electric field control of magnetism in multiferroic heterostructures
journal, July 2012

In-situ high-pressure behaviors of double-perovskite Sr ₂ ZnTeO ₆
journal, May 2013

Theory of metallic double perovskites with spin-orbit coupling and strong correlations: Application to ferrimagnetic Ba $_{2}$ FeReO $_{6}$
journal, December 2013

Ab-initio structure determination of LiSbWO6 by X-ray powder diffraction
journal, March 1988

Evidence of unquenched Re orbital magnetic moment in AA′FeReO6 double perovskites
journal, August 2006

Solidification and loss of hydrostaticity in liquid media used for pressure measurements
journal, December 2015

Intergrain tunneling magnetoresistance in polycrystals of the ordered double perovskite ${Sr}_{2} {FeReO}_{6}$
journal, May 1999

High-Temperature Ferrimagnetism Driven by Lattice Distortion in Double Perovskite Ca ₂ FeOsO ₆
journal, February 2014

Metallic and nonmetallic double perovskites: A case study of $A_{2} {FeReO}_{6}$ $(A = C a, S r, Ba)$
journal, October 2000

X-ray circular dichroism as a probe of orbital magnetization
journal, March 1992

Effects of occupation-numbers in (3d–5d) and U energy on transport and magnetic properties of complex perovskites Pb2MReO6 (M=Cr, Mn and Fe) by LSDA and LSDA+U methods
journal, February 2017

${Sr}_{2} {Ir}_{1 - x} {Rh}_{x} O_{4} (x < 0.5)$ : An inhomogeneous $j_{eff} = \frac{1}{2}$ Hubbard system
journal, August 2015

Instrument for x-ray magnetic circular dichroism measurements at high pressures
journal, August 2007

Mott Insulators in the Strong Spin-Orbit Coupling Limit: From Heisenberg to a Quantum Compass and Kitaev Models
journal, January 2009

Compounds of Osmium and Rhenium with the Ordered Perovskite Structure
journal, May 1962

Electronic structure and local magnetism of 3 d –5 d impurity substituted CeFe ₂
journal, March 2016

X-ray powder diffraction beamline at D10B of LNLS: application to the Ba ₂ FeReO ₆ double perovskite
journal, December 2005

Theory of the Role of Covalence in the Perovskite-Type Manganites $[La, M (II)] Mn O_{3}$
journal, October 1955

Incipient Orbital Order in Half-Metallic ${Ba}_{2} {FeReO}_{6}$
journal, January 2007