Magnetic structure of the mixed antiferromagnet NdMn0.8Fe0.2O3

Mihalik, Matus; Mihalik, Marian; Hoser, Andreas; Pajerowski, Daniel M.; Kriegner, Dominik; Legut, Dominik; Lebecki, Kristof M.; Vavra, Martin; Fitta, Magdalena; Meisel, Mark William

doi:10.1103/PhysRevB.96.134430

Title: Magnetic structure of the mixed antiferromagnet ${NdMn}_{0.8} {Fe}_{0.2} O_{3}$

Abstract

The magnetic structure of the mixed antiferromagnet NdMn_0.8Fe_0.2O₃ was resolved. Neutron powder diffraction data definitively resolve the Mn sublattice with a magnetic propagation vector k=(000) and with the magnetic structure (A_x, F_y, G_z) for 1.6 K _N(≈ 59 K). The Nd sublattice has a (0, f_y, 0) contribution in the same temperature interval. The Mn sublattice undergoes a spin-reorientation transition at T₁ ≈ 13 K while the Nd magnetic moment abruptly increases at this temperature. Powder x-ray diffraction shows a strong magnetoelastic effect at T_N but no additional structural phase transitions from 3 to 300 K. Density functional theory calculations confirm the magnetic structure of the undoped NdMnO₃ as part of our analysis. Taken together, these results show that the magnetic structure of the Mn sublattice in NdMn_0.8Fe_0.2O₃ is a combination of the Mn and Fe parent compounds, but the magnetic ordering of the Nd sublattice spans a broader temperature interval than in the case of NdMnO₃ and NdFeO₃. Lastly, this result is a consequence of the fact that the Nd ions do not order independently, but via polarization from the Mn/Fe sublattice.

Authors:

Mihalik, Matus ^[1]; Mihalik, Marian ^[1]; Hoser, Andreas ^[2];

^[3]; Kriegner, Dominik ^[4]; Legut, Dominik ^[5]; Lebecki, Kristof M. ^[5]; Vavra, Martin ^[6]; Fitta, Magdalena ^[7]; Meisel, Mark William ^[8]

Inst. of Experimental Physics SAS, Kosice (Slovak Republic)
Helmholtz-Zentrum Berlin (HZB), (Germany)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Quantum Condensed Matter Division, Neutron Sciences Directorate
Charles Univ., Prague (Czech Republic). Dept. of Condensed Matter Physics, Faculty of Mathematics and Physics
VSB-Technical Univ. of Ostrava, Ostrava, Czech Republic (United States). Nanotechnology Centre & IT4 Innovations Center
P. J. Safarik Univ., Kosice (Slovak Republic). Dept. of Inorganic Chemistry, Inst. of Chemistry
Polish Academy of Sciences (PAS), Krakow (Poland). Henryk Niewodniczanski Inst. of Nuclear Physics
Univ. of Florida, Gainesville, FL (United States). National High Magnetic Field Lab. (MagLab), Dept. of Physics; Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Joint Inst. for Neutron Sciences; P. J. Safarik Univ., Kosice (Slovak Republic). Dept. of Condensed Matter Physics, Inst. of Physics

Publication Date:: Fri Oct 27 00:00:00 EDT 2017

Research Org.:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

OSTI Identifier:: 1430607

Alternate Identifier(s):: OSTI ID: 1405218

Grant/Contract Number:: AC05-00OR22725; 283883; ITMS-26220120047; DMR-1202033; DMR-1157490

Resource Type:: Accepted Manuscript

Journal Name:: Physical Review B

Additional Journal Information:: Journal Volume: 96; Journal Issue: 13; 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; 36 MATERIALS SCIENCE

Citation Formats


                    Mihalik, Matus, Mihalik, Marian, Hoser, Andreas, Pajerowski, Daniel M., Kriegner, Dominik, Legut, Dominik, Lebecki, Kristof M., Vavra, Martin, Fitta, Magdalena, and Meisel, Mark William. Magnetic structure of the mixed antiferromagnet NdMn0.8Fe0.2O3.  United States: N. p., 2017. 
Web.  doi:10.1103/PhysRevB.96.134430.

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                    Mihalik, Matus, Mihalik, Marian, Hoser, Andreas, Pajerowski, Daniel M., Kriegner, Dominik, Legut, Dominik, Lebecki, Kristof M., Vavra, Martin, Fitta, Magdalena, & Meisel, Mark William. Magnetic structure of the mixed antiferromagnet NdMn0.8Fe0.2O3.  United States.  https://doi.org/10.1103/PhysRevB.96.134430

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                    Mihalik, Matus, Mihalik, Marian, Hoser, Andreas, Pajerowski, Daniel M., Kriegner, Dominik, Legut, Dominik, Lebecki, Kristof M., Vavra, Martin, Fitta, Magdalena, and Meisel, Mark William. Fri .  
"Magnetic structure of the mixed antiferromagnet NdMn0.8Fe0.2O3".  United States.  https://doi.org/10.1103/PhysRevB.96.134430.  https://www.osti.gov/servlets/purl/1430607.

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@article{osti_1430607,

  title        = {Magnetic structure of the mixed antiferromagnet NdMn0.8Fe0.2O3},

  author       = {Mihalik, Matus and Mihalik, Marian and Hoser, Andreas and Pajerowski, Daniel M. and Kriegner, Dominik and Legut, Dominik and Lebecki, Kristof M. and Vavra, Martin and Fitta, Magdalena and Meisel, Mark William},

  abstractNote = {The magnetic structure of the mixed antiferromagnet NdMn0.8Fe0.2O3 was resolved. Neutron powder diffraction data definitively resolve the Mn sublattice with a magnetic propagation vector k=(000) and with the magnetic structure (Ax, Fy, Gz) for 1.6 K N(≈ 59 K). The Nd sublattice has a (0, fy, 0) contribution in the same temperature interval. The Mn sublattice undergoes a spin-reorientation transition at T1 ≈ 13 K while the Nd magnetic moment abruptly increases at this temperature. Powder x-ray diffraction shows a strong magnetoelastic effect at TN but no additional structural phase transitions from 3 to 300 K. Density functional theory calculations confirm the magnetic structure of the undoped NdMnO3 as part of our analysis. Taken together, these results show that the magnetic structure of the Mn sublattice in NdMn0.8Fe0.2O3 is a combination of the Mn and Fe parent compounds, but the magnetic ordering of the Nd sublattice spans a broader temperature interval than in the case of NdMnO3 and NdFeO3. Lastly, this result is a consequence of the fact that the Nd ions do not order independently, but via polarization from the Mn/Fe sublattice.},

  doi          = {10.1103/PhysRevB.96.134430},

  journal      = {Physical Review B},

  number       = 13,

  volume       = 96,

  place        = {United States},

  year         = {Fri Oct 27 00:00:00 EDT 2017},

  month        = {Fri Oct 27 00:00:00 EDT 2017}

}

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Title: Magnetic structure of the mixed antiferromagnet NdMn 0.8 Fe 0.2 O 3

Abstract

Citation Formats

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

Magnetochemistry book, January 1986

VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data journal, October 2011

Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study journal, January 1998

Inhomogeneous Electron Gas journal, November 1964

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Magnetic structure of the manganites heavily doped by Fe and Cr ions journal, May 2007

Oxygen Nonstoichiometry and Crystal and Defect Structure of PrMnO3+y and NdMnO3+y journal, August 1995

Preparation of NdMn 1 − x Fe x O 3 + δ single crystals—Effect of preparation atmosphere and iron doping journal, September 2014

Powder diffraction in Bragg–Brentano geometry with straight linear detectors journal, March 2015

Structural and magnetic study of PrMn1–Fe O3 compounds journal, December 2016

Neutron Diffraction Experiment on a Randomly Mixed Antiferromagnet with Competing Spin Anisotropies journal, October 1980

Direct evidence for the Nd magnetic ordering in NdMnO 3 from the hyperfine field splitting of Nd nuclear levels journal, March 2009

Electrical, Magnetic and Catalytic Investigations on Some Manganite Perovskites Prepared by Combustion Method journal, December 2010

Magnetic properties of NdMn 1−x Fe x O 3+δ (0≤ x ≤0.3) system. journal, November 2013

Constructing a magnetic handle for antiferromagnetic manganites journal, April 2016

Floating zone growth and compositional inhomogeneity study of La0.75Y0.05Sr0.2MnO3 single crystals journal, August 2009

Colossal magnetoresistance journal, September 1997

Canted structures in the Mn3+/Mn4+ perovskites journal, April 1997

High pressure effects on the crystal and magnetic structure of La 0.7 Sr 0.3 MnO 3 journal, September 2004

Multiferroic properties and magnetic structure of Sm 1 − x Y x MnO 3 journal, May 2011

Charge, orbital, and magnetic order in Nd 0.5 Ca 0.5 MnO 3 journal, September 2000

Effect of Jahn-Teller distortion on magnetic ordering in Dy(Fe,Mn)O 3 perovskites journal, June 2011

Title: Magnetic structure of the mixed antiferromagnet ${NdMn}_{0.8} {Fe}_{0.2} O_{3}$

Generalized Gradient Approximation Made Simple
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Recent advances in magnetic structure determination by neutron powder diffraction
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The physics of manganites: Structure and transport
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Stability of polyatomic molecules in degenerate electronic states - I—Orbital degeneracy
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Magnetic structure of the manganites heavily doped by Fe and Cr ions
journal, May 2007

Oxygen Nonstoichiometry and Crystal and Defect Structure of PrMnO3+y and NdMnO3+y
journal, August 1995

Preparation of ${NdMn}_{1 - x} {Fe}_{x} O_{3 + δ}$ single crystals—Effect of preparation atmosphere and iron doping
journal, September 2014

Powder diffraction in Bragg–Brentano geometry with straight linear detectors
journal, March 2015

Structural and magnetic study of PrMn1–Fe O3 compounds
journal, December 2016

Neutron Diffraction Experiment on a Randomly Mixed Antiferromagnet with Competing Spin Anisotropies
journal, October 1980

Direct evidence for the Nd magnetic ordering in NdMnO ₃ from the hyperfine field splitting of Nd nuclear levels
journal, March 2009

Electrical, Magnetic and Catalytic Investigations on Some Manganite Perovskites Prepared by Combustion Method
journal, December 2010

Magnetic properties of NdMn 1−x Fe x O 3+δ (0≤ x ≤0.3) system.
journal, November 2013

Constructing a magnetic handle for antiferromagnetic manganites
journal, April 2016

Floating zone growth and compositional inhomogeneity study of La0.75Y0.05Sr0.2MnO3 single crystals
journal, August 2009

Colossal magnetoresistance
journal, September 1997

Canted structures in the Mn3+/Mn4+ perovskites
journal, April 1997

High pressure effects on the crystal and magnetic structure of La _0.7 Sr _0.3 MnO ₃
journal, September 2004

Multiferroic properties and magnetic structure of Sm $_{1 - x}$ Y $_{x}$ MnO $_{3}$
journal, May 2011

Charge, orbital, and magnetic order in ${Nd}_{0.5} {Ca}_{0.5} {MnO}_{3}$
journal, September 2000

Effect of Jahn-Teller distortion on magnetic ordering in Dy(Fe,Mn)O $_{3}$ perovskites
journal, June 2011