DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Tuning the Néel Temperature of Hexagonal Ferrites by Structural Distortion

Abstract

To tune the magnetic properties of hexagonal ferrites, a family of magnetoelectric multiferroic materials, by atomic-scale structural engineering, we studied the effect of structural distortion on the magnetic ordering temperature (TN) in these materials. Using the symmetry analysis, we show that unlike most antiferromagnetic rare-earth transition-metal perovskites, a larger structural distortion leads to a higher TN in hexagonal ferrites and manganites, because the K3 structural distortion induces the three-dimensional magnetic ordering, which is forbidden in the undistorted structure by symmetry. We also revealed a near-linear relation between TN and the tolerance factor and a power-law relation between TN and the K3 distortion amplitude. Following the analysis, a record-high TN (185 K) among hexagonal ferrites was predicted in hexagonal ScFeO3 and experimentally verified in epitaxially stabilized films. These results add to the paradigm of spin-lattice coupling in antiferromagnetic oxides and suggests further tunability of hexagonal ferrites if more lattice distortion can be achieved.

Authors:
 [1];  [1];  [2];  [3];  [1];  [4];  [2];  [5];  [6];  [6];  [7];  [1]
  1. Univ. of Nebraska, Lincoln, NE (United States)
  2. Bryn Mawr College, Bryn Mawr, PA (United States)
  3. Temple Univ., Philadelphia, PA (United States); Peking Univ., Beijing (People's Republic of China)
  4. Fudan Univ., Shanghai (People's Republic of China)
  5. Argonne National Lab. (ANL), Argonne, IL (United States)
  6. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  7. Temple Univ., Philadelphia, PA (United States)
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES); National Science Foundation (NSF)
OSTI Identifier:
1510071
Alternate Identifier(s):
OSTI ID: 1484974; OSTI ID: 1530115
Grant/Contract Number:  
AC02-06CH11357; AC05-00OR22725
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review Letters
Additional Journal Information:
Journal Volume: 121; Journal Issue: 23; Journal ID: ISSN 0031-9007
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Sinha, Kishan, Wang, Haohan, Wang, Xiao, Zhou, Liying, Yin, Yuewei, Wang, Wenbin, Cheng, Xuemei, Keavney, David J., Cao, Huibo, Liu, Yaohua, Wu, Xifan, and Xu, Xiaoshan. Tuning the Néel Temperature of Hexagonal Ferrites by Structural Distortion. United States: N. p., 2018. Web. doi:10.1103/PhysRevLett.121.237203.
Sinha, Kishan, Wang, Haohan, Wang, Xiao, Zhou, Liying, Yin, Yuewei, Wang, Wenbin, Cheng, Xuemei, Keavney, David J., Cao, Huibo, Liu, Yaohua, Wu, Xifan, & Xu, Xiaoshan. Tuning the Néel Temperature of Hexagonal Ferrites by Structural Distortion. United States. https://doi.org/10.1103/PhysRevLett.121.237203
Sinha, Kishan, Wang, Haohan, Wang, Xiao, Zhou, Liying, Yin, Yuewei, Wang, Wenbin, Cheng, Xuemei, Keavney, David J., Cao, Huibo, Liu, Yaohua, Wu, Xifan, and Xu, Xiaoshan. Fri . "Tuning the Néel Temperature of Hexagonal Ferrites by Structural Distortion". United States. https://doi.org/10.1103/PhysRevLett.121.237203. https://www.osti.gov/servlets/purl/1510071.
@article{osti_1510071,
title = {Tuning the Néel Temperature of Hexagonal Ferrites by Structural Distortion},
author = {Sinha, Kishan and Wang, Haohan and Wang, Xiao and Zhou, Liying and Yin, Yuewei and Wang, Wenbin and Cheng, Xuemei and Keavney, David J. and Cao, Huibo and Liu, Yaohua and Wu, Xifan and Xu, Xiaoshan},
abstractNote = {To tune the magnetic properties of hexagonal ferrites, a family of magnetoelectric multiferroic materials, by atomic-scale structural engineering, we studied the effect of structural distortion on the magnetic ordering temperature (TN) in these materials. Using the symmetry analysis, we show that unlike most antiferromagnetic rare-earth transition-metal perovskites, a larger structural distortion leads to a higher TN in hexagonal ferrites and manganites, because the K3 structural distortion induces the three-dimensional magnetic ordering, which is forbidden in the undistorted structure by symmetry. We also revealed a near-linear relation between TN and the tolerance factor and a power-law relation between TN and the K3 distortion amplitude. Following the analysis, a record-high TN (185 K) among hexagonal ferrites was predicted in hexagonal ScFeO3 and experimentally verified in epitaxially stabilized films. These results add to the paradigm of spin-lattice coupling in antiferromagnetic oxides and suggests further tunability of hexagonal ferrites if more lattice distortion can be achieved.},
doi = {10.1103/PhysRevLett.121.237203},
journal = {Physical Review Letters},
number = 23,
volume = 121,
place = {United States},
year = {2018},
month = {12}
}

Journal Article:

Citation Metrics:
Cited by: 7 works
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

Evolution of the Magnetic Structure of Hexagonal HoMnO 3 from Neutron Powder Diffraction Data
journal, May 2001

  • Muñoz, A.; Alonso, J. A.; Martínez-Lope, M. J.
  • Chemistry of Materials, Vol. 13, Issue 5
  • DOI: 10.1021/cm0012264

On the structural origin of the single-ion magnetic anisotropy in LuFeO 3
journal, March 2016


A thermodynamic theory of “weak” ferromagnetism of antiferromagnetics
journal, January 1958


Magnetic structure evolution of NdMnO 3 derived from neutron diffraction data
journal, February 2000

  • Muñoz, A.; Alonso, J. A.; Martínez-Lope, M. J.
  • Journal of Physics: Condensed Matter, Vol. 12, Issue 7
  • DOI: 10.1088/0953-8984/12/7/319

Moriya Interaction and the Problem of the Spin Arrangements in β MnS
journal, May 1962


Spin waves in the antiferromagnet perovskite LaMn O 3 : A neutron-scattering study
journal, December 1996


Magnetic structure of hexagonal R MnO 3 ( R = Y , Sc ) : Thermal evolution from neutron powder diffraction data
journal, October 2000


Phase separation in LuFeO 3 films
journal, May 2016

  • Cao, Shi; Zhang, Xiaozhe; Sinha, Kishan
  • Applied Physics Letters, Vol. 108, Issue 20
  • DOI: 10.1063/1.4950991

Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides
journal, September 1976


Bulk magnetoelectricity in the hexagonal manganites and ferrites
journal, January 2014

  • Das, Hena; Wysocki, Aleksander L.; Geng, Yanan
  • Nature Communications, Vol. 5, Issue 1
  • DOI: 10.1038/ncomms3998

Structural, magnetic and electronic properties of perovskites (R = rare earth)
journal, February 1997


Noncentrosymmetric Structure of LuFeO 3 in Metastable State
journal, September 2010

  • Magome, Eisuke; Moriyoshi, Chikako; Kuroiwa, Yoshihiro
  • Japanese Journal of Applied Physics, Vol. 49, Issue 9
  • DOI: 10.1143/JJAP.49.09ME06

Multiferroicity in doped hexagonal LuFe O 3
journal, August 2015


Magnetic Structure and Ordering of Multiferroic Hexagonal LuFeO 3
journal, May 2015


Weak Ferromagnetic Transition with a Dielectric Anomaly in Hexagonal Lu 0.5 Sc 0.5 FeO 3
journal, September 2013

  • Masuno, Atsunobu; Ishimoto, Atsushi; Moriyoshi, Chikako
  • Inorganic Chemistry, Vol. 52, Issue 20
  • DOI: 10.1021/ic401482h

Magnetic structure of the HoNiO 3 perovskite
journal, September 2001

  • Fernández-Díaz, M. T.; Alonso, J. A.; Martínez-Lope, M. J.
  • Physical Review B, Vol. 64, Issue 14
  • DOI: 10.1103/PhysRevB.64.144417

Physical properties of multiferroic hexagonal HoMnO3 thin films
journal, April 2007

  • Murugavel, P.; Lee, J. -H.; Lee, D.
  • Applied Physics Letters, Vol. 90, Issue 14
  • DOI: 10.1063/1.2718512

Intrinsic magnetic properties of hexagonal LuFeO 3 and the effects of nonstoichiometry
journal, January 2014

  • Moyer, Jarrett A.; Misra, Rajiv; Mundy, Julia A.
  • APL Materials, Vol. 2, Issue 1
  • DOI: 10.1063/1.4861795

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


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


Magnetic properties of rare‐earth vanadites L n VO 3
journal, January 1977

  • Sakai, Takaaki; Adachi, Gin‐ya; Shiokawa, Jiro
  • Journal of Applied Physics, Vol. 48, Issue 1
  • DOI: 10.1063/1.323338

Structural and electronic origin of the magnetic structures in hexagonal LuFeO 3
journal, July 2014


Some Neutron‐Diffraction Investigations at the Nuclear Center of Grenoble
journal, March 1966

  • Bertaut, E. F.; Bassi, G.; Buisson, G.
  • Journal of Applied Physics, Vol. 37, Issue 3
  • DOI: 10.1063/1.1708325

Ferroelectricity and weak ferromagnetism of hexagonal ErFe O 3 thin films
journal, August 2015


Spin-rotation phenomena and magnetic phase diagrams of hexagonal RMnO3
journal, May 2003

  • Fiebig, M.; Lottermoser, Th.; Pisarev, R. V.
  • Journal of Applied Physics, Vol. 93, Issue 10
  • DOI: 10.1063/1.1544513

Crystallographic and magnetic transitions in CeVO 3 : A neutron diffraction study
journal, October 2003


Anomalous properties of hexagonal rare-earth ferrites from first principles
journal, May 2014


XRD and HREM Studies of Epitaxially Stabilized Hexagonal Orthoferrites RFeO 3 (R = Eu−Lu)
journal, May 2004

  • Bossak, Alexei A.; Graboy, Igor E.; Gorbenko, Oleg Yu.
  • Chemistry of Materials, Vol. 16, Issue 9
  • DOI: 10.1021/cm0353660

Multiferroism in hexagonally stabilized TmFeO 3 thin films below 120 K
journal, January 2014

  • Ahn, Suk-Jin; Lee, Jung-Hoon; Jang, Hyun Myung
  • J. Mater. Chem. C, Vol. 2, Issue 23
  • DOI: 10.1039/C4TC00461B

Localized or itinerant TiO 3 electrons in RTiO 3 perovskites
journal, November 2005


Pressure and strain effects of hexagonal rare-earth manganites: a first-principles study
journal, February 2016


Structural and magnetic phase transitions of the orthovanadates R VO 3 ( R = Dy, Ho, Er) as seen via neutron diffraction
journal, February 2011


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

  • Bhalla, A. S.; Guo, Ruyan; Roy, Rustum
  • Materials Research Innovations, Vol. 4, Issue 1
  • DOI: 10.1007/s100190000062

High-Pressure Preparation, Crystal Structure, Magnetic Properties, and Phase Transitions in GdNiO 3 and DyNiO 3 Perovskites
journal, September 1999

  • Alonso, J. A.; Martínez-Lope, M. J.; Casais, M. T.
  • Chemistry of Materials, Vol. 11, Issue 9
  • DOI: 10.1021/cm991033k

Effect of interface on epitaxy and magnetism in h-RFeO 3 /Fe 3 O 4 /Al 2 O 3 films (R  =  Lu, Yb)
journal, March 2017

  • Zhang, Xiaozhe; Yin, Yuewei; Yang, Sen
  • Journal of Physics: Condensed Matter, Vol. 29, Issue 16
  • DOI: 10.1088/1361-648X/aa5fec

Effects of biaxial strain on the improper multiferroicity in h LuFe O 3 films studied using the restrained thermal expansion method
journal, March 2017


Exchange field on the rare earth Sm 3 + in a single crystal perovskite SmMnO 3
journal, September 2011


Room-Temperature Multiferroic Hexagonal LuFeO 3 Films
journal, June 2013


Giant magneto-elastic coupling in multiferroic hexagonal manganites
journal, February 2008


Neutron diffraction study of YVO 3 , NdVO 3 , and TbVO 3
journal, March 2006


Structurally Tailored Hexagonal Ferroelectricity and Multiferroism in Epitaxial YbFeO 3 Thin-Film Heterostructures
journal, January 2012

  • Jeong, Young Kyu; Lee, Jung-Hoon; Ahn, Suk-Jin
  • Journal of the American Chemical Society, Vol. 134, Issue 3
  • DOI: 10.1021/ja210341b

A Polar Corundum Oxide Displaying Weak Ferromagnetism at Room Temperature
journal, February 2012

  • Li, Man-Rong; Adem, Umut; McMitchell, Sean R. C.
  • Journal of the American Chemical Society, Vol. 134, Issue 8
  • DOI: 10.1021/ja208395z

Atomically engineered ferroic layers yield a room-temperature magnetoelectric multiferroic
journal, September 2016

  • Mundy, Julia A.; Brooks, Charles M.; Holtz, Megan E.
  • Nature, Vol. 537, Issue 7621
  • DOI: 10.1038/nature19343

Crystal field splitting and optical bandgap of hexagonal LuFeO3 films
journal, December 2012

  • Wang, Wenbin; Wang, Hongwei; Xu, Xiaoying
  • Applied Physics Letters, Vol. 101, Issue 24
  • DOI: 10.1063/1.4771601

Anisotropic Superexchange Interaction and Weak Ferromagnetism
journal, October 1960


Magnetic charges and magnetoelectricity in hexagonal rare-earth manganites and ferrites
journal, July 2015


Crystallographic phase coexistence, spin-orbital order transitions, and spontaneous spin flop in TmV O 3
journal, February 2016


Hexagonal phase stabilization and magnetic orders of multiferroic L u 1 x S c x Fe O 3
journal, February 2016


Electronic structure and direct observation of ferrimagnetism in multiferroic hexagonal YbFeO 3
journal, June 2017


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

  • Jirák, Z.; Hejtmánek, J.; Pollert, E.
  • Journal of Applied Physics, Vol. 81, Issue 8
  • DOI: 10.1063/1.364669

Epitaxially Constrained Hexagonal Ferroelectricity and Canted Triangular Spin Order in LuFeO 3 Thin Films
journal, June 2012

  • Jeong, Young Kyu; Lee, Jung-Hoon; Ahn, Suk-Jin
  • Chemistry of Materials, Vol. 24, Issue 13
  • DOI: 10.1021/cm300846j

Magnetoelectric phase diagrams of orthorhombic R MnO 3 ( R = Gd , Tb, and Dy)
journal, June 2005


Works referencing / citing this record:

Perspectives of multiscale rare earth crystal materials
journal, January 2019


Structural phase diagram and magnetic properties of Sc-substituted rare earth ferrites R 1− x Sc x FeO 3 ( R  = Lu, Yb, Er, and Ho)
journal, June 2019

  • White, Jason; Sinha, Kishan; Xu, Xiaoshan
  • Journal of Applied Physics, Vol. 125, Issue 24
  • DOI: 10.1063/1.5098488

Single-phase multiferroics: new materials, phenomena, and physics
journal, July 2019

  • Lu, Chengliang; Wu, Menghao; Lin, Lin
  • National Science Review, Vol. 6, Issue 4
  • DOI: 10.1093/nsr/nwz091

Pressure-induced large enhancement of Néel temperature and electric polarization in the hexagonal multiferroic L u 0.5 S c 0.5 Fe O 3
journal, December 2019


DEMAND, a Dimensional Extreme Magnetic Neutron Diffractometer at the High Flux Isotope Reactor
journal, December 2018

  • Cao, Huibo; Chakoumakos, Bryan; Andrews, Katie
  • Crystals, Vol. 9, Issue 1
  • DOI: 10.3390/cryst9010005