Pressure-induced charge orders and their postulated coupling to magnetism in hexagonal multiferroic LuFe2O4

Liu, Fengliang; Hao, Yiqing; Ni, Jinyang; Zhao, Yongsheng; Zhang, Dongzhou; Fabbris, Gilberto; Haskel, Daniel; Cheng, Shaobo; Xu, Xiaoshan; Yin, Lifeng; Xiang, Hongjun; Zhao, Jun; Lü, Xujie; Wang, Wenbin; Shen, Jian; Yang, Wenge

doi:10.1038/s41535-022-00522-x

Title: Pressure-induced charge orders and their postulated coupling to magnetism in hexagonal multiferroic LuFe₂O₄

Journal Article · Sat Jan 07 00:00:00 UTC 2023 · npj Quantum Materials

DOI: https://doi.org/10.1038/s41535-022-00522-x · OSTI ID:2378609

Liu, Fengliang ^[1]; Hao, Yiqing ^[2]; Ni, Jinyang ^[2];

^[3]; Zhang, Dongzhou ^[4];

^[5];

^[5]; Cheng, Shaobo ^[6];

^[7];

^[8];

^[9];

^[10];

^[3]; Wang, Wenbin ^[8];

^[8];

^[3]

Fudan Univ., Shanghai (China); Center for High Pressure Science and Technology Advanced Research (HPSTAR), Beijing (China); Nanchang Univ. (China)
Fudan Univ., Shanghai (China)
Center for High Pressure Science and Technology Advanced Research (HPSTAR), Beijing (China)
Univ. of Hawaii at Manoa, Honolulu, HI (United States). Dept. of Physics and Astronomy
Argonne National Laboratory (ANL), Argonne, IL (United States)
Brookhaven National Laboratory (BNL), Upton, NY (United States)
Univ. of Nebraska, Lincoln, NE (United States)
Fudan Univ., Shanghai (China); Nanjing Univ. (China); Shanghai Qi Zhi Inst. (China); Shanghai Research Center for Quantum Sciences (China)
Fudan Univ., Shanghai (China); Nanjing Univ. (China)
Fudan Univ., Shanghai (China); Nanjing Univ. (China); Shanghai Qi Zhi Inst. (China)

Hexagonal LuFe₂O₄ is a promising charge order (CO) driven multiferroic material with high charge and spin-ordering temperatures. The coexisting charge and spin orders on Fe³⁺/Fe²⁺ sites result in magnetoelectric behaviors, but the coupling mechanism between the charge and spin orders remains elusive. Here, by tuning external pressure, we reveal three charge-ordered phases with suggested correlation to magnetic orders in LuFe₂O₄: (i) a centrosymmetric incommensurate three-dimensional CO with ferrimagnetism, (ii) a non-centrosymmetric incommensurate quasi-two-dimensional CO with ferrimagnetism, and (iii) a centrosymmetric commensurate CO with antiferromagnetism. Experimental in situ single-crystal X-ray diffraction and X-ray magnetic circular dichroism measurements combined with density functional theory calculations suggest that the charge density redistribution caused by pressure-induced compression in the frustrated double-layer [Fe₂O₄] cluster is responsible for the correlated spin-charge phase transitions. The pressure-enhanced effective Coulomb interactions among Fe-Fe bonds drive the frustrated (1/3, 1/3) CO to a less frustrated (1/4, 1/4) CO, which induces the ferrimagnetic to antiferromagnetic transition. Our results not only elucidate the coupling mechanism among charge, spin, and lattice degrees of freedom in LuFe₂O₄, but also provide a new way to tune the spin-charge orders in a highly controlled manner.

View Accepted Manuscript (DOE)

Cite

Export

Save

Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States)

Sponsoring Organization:: National Natural Science Foundation of China (NSFC); National Science Foundation (NSF); USDOE National Nuclear Security Administration (NNSA); USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)

Grant/Contract Number:: AC02-06CH11357; FG02-99ER45775; NA0001974

OSTI ID:: 2378609

Journal Information:: npj Quantum Materials, Journal Name: npj Quantum Materials Journal Issue: 1 Vol. 8; ISSN 2397-4648

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

References (44)

Giant Room–Temperature Magnetodielectric Response in the Electronic Ferroelectric LuFe2O4 Subramanian, M. A.; He, T.; Chen, J. Advanced Materials, Vol. 18, Issue 13 https://doi.org/10.1002/adma.200600071	journal	July 2006
XMCD at Fe L2,3 edges, Fe and S K edges on Fe7S8 Letard, Isabelle; Sainctavit, Philippe; Deudon, Catherine Physics and Chemistry of Minerals, Vol. 34, Issue 2 https://doi.org/10.1007/s00269-006-0132-8	journal	December 2006
Recent advances in magnetic structure determination by neutron powder diffraction Rodríguez-Carvajal, Juan Physica B: Condensed Matter, Vol. 192, Issue 1-2 https://doi.org/10.1016/0921-4526(93)90108-I	journal	October 1993
A new protocol for the determination of magnetic structures using simulated annealing and representational analysis (SARAh) Wills, A. S. Physica B: Condensed Matter, Vol. 276-278 https://doi.org/10.1016/S0921-4526(99)01722-6	journal	March 2000
The evolution of multiferroics Fiebig, Manfred; Lottermoser, Thomas; Meier, Dennis Nature Reviews Materials, Vol. 1, Issue 8 https://doi.org/10.1038/natrevmats.2016.46	journal	July 2016
Ferroelectricity from iron valence ordering in the charge-frustrated system LuFe2O4 Ikeda, Naoshi; Ohsumi, Hiroyuki; Ohwada, Kenji Nature, Vol. 436, Issue 7054 https://doi.org/10.1038/nature04039	journal	August 2005
Atomically engineered ferroic layers yield a room-temperature magnetoelectric multiferroic Mundy, Julia A.; Brooks, Charles M.; Holtz, Megan E. Nature, Vol. 537, Issue 7621 https://doi.org/10.1038/nature19343	journal	September 2016
Oxygen storage capacity and structural flexibility of LuFe2O4+x (0≤x≤0.5) Hervieu, M.; Guesdon, A.; Bourgeois, J. Nature Materials, Vol. 13, Issue 1 https://doi.org/10.1038/nmat3809	journal	November 2013
Advances in magnetoelectric multiferroics Spaldin, N. A.; Ramesh, R. Nature Materials, Vol. 18, Issue 3 https://doi.org/10.1038/s41563-018-0275-2	journal	February 2019
Instrument for x-ray magnetic circular dichroism measurements at high pressures Haskel, D.; Tseng, Y. C.; Lang, J. C. Review of Scientific Instruments, Vol. 78, Issue 8 https://doi.org/10.1063/1.2773800	journal	August 2007
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
Pressure effect on the magnetic order of LuFe₂O₄ Makarova, O. L.; Bourgeois, J.; Poienar, M. Applied Physics Letters, Vol. 103, Issue 8 https://doi.org/10.1063/1.4819073	journal	August 2013
Modulation in charge ordering structure of ferroelectric YbFe2O4 by magnetic ordering Nagata, T.; Ikeda, N. AIP Advances, Vol. 8, Issue 7 https://doi.org/10.1063/1.5026921	journal	July 2018
Structure Transition and Charge Competition on YFe 2 O 4 Ikeda, Naoshi; Mori, Ryosuke; Mori, Shigeo Ferroelectrics, Vol. 286, Issue 1 https://doi.org/10.1080/00150190390206356	journal	January 2003
Crystallographical and morphological changes in charge-ordering transition of RFe₂O₄ (R: Y, Lu) investigated by transmission electron microscopy Horibe, Y.; Mori, S.; Ikeda, N. Ferroelectrics, Vol. 584, Issue 1 https://doi.org/10.1080/00150193.2021.1984762	journal	November 2021
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
Density-functional theory and strong interactions: Orbital ordering in Mott-Hubbard insulators Liechtenstein, A. I.; Anisimov, V. I.; Zaanen, J. Physical Review B, Vol. 52, Issue 8 https://doi.org/10.1103/PhysRevB.52.R5467	journal	August 1995
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
Magnetic and dielectric properties of R Fe 2 O 4 , R Fe M O 4 , and R Ga Cu O 4 ( R = Yb and Lu, M = Co and Cu) Yoshii, Kenji; Ikeda, Naoshi; Matsuo, Yoji Physical Review B, Vol. 76, Issue 2 https://doi.org/10.1103/PhysRevB.76.024423	journal	July 2007
Structure, charge ordering and physical properties of Lu Fe 2 O 4 Zhang, Y.; Yang, H. X.; Guo, Y. Q. Physical Review B, Vol. 76, Issue 18 https://doi.org/10.1103/PhysRevB.76.184105	journal	November 2007
Oxygen-deficient effect on charge ordering in spin- and charge-frustrated ferriteYFe2O4−δ Horibe, Y.; Yoshii, K.; Ikeda, N. Physical Review B, Vol. 80, Issue 9 https://doi.org/10.1103/PhysRevB.80.092104	journal	September 2009
Charge order, enhanced orbital moment, and absence of magnetic frustration in layered multiferroic LuFe 2 O 4 Kuepper, K.; Raekers, M.; Taubitz, C. Physical Review B, Vol. 80, Issue 22 https://doi.org/10.1103/PhysRevB.80.220409	journal	December 2009
Growth diagram and magnetic properties of hexagonal LuFe 2 O 4 thin films Wang, Wenbin; Gai, Zheng; Chi, Miaofang Physical Review B, Vol. 85, Issue 15 https://doi.org/10.1103/PhysRevB.85.155411	journal	April 2012
Evidence of magnetic phase separation in LuFe 2 O 4 Bourgeois, J.; André, G.; Petit, S. Physical Review B, Vol. 86, Issue 2 https://doi.org/10.1103/PhysRevB.86.024413	journal	July 2012
Electronic states of R F e 2 O 4 ( R = Lu , Yb , Tm , Y ) mixed-valence compounds determined by soft x-ray absorption spectroscopy and x-ray magnetic circular dichroism Lafuerza, Sara; García, Joaquín; Subías, Gloria Physical Review B, Vol. 90, Issue 24 https://doi.org/10.1103/PhysRevB.90.245137	journal	December 2014
High-pressure polymorph ofLuFe2O4with room-temperature antiferromagnetic order Damay, F.; Poienar, M.; Hervieu, M. Physical Review B, Vol. 91, Issue 21 https://doi.org/10.1103/PhysRevB.91.214111	journal	June 2015
Characterization of competing distortions inYFe2O4 Blasco, J.; Lafuerza, S.; García, J. Physical Review B, Vol. 93, Issue 18 https://doi.org/10.1103/PhysRevB.93.184110	journal	May 2016
Pressure effect on the magnetism of the diluted magnetic semiconductor ( B a 1 − x K x ) ( Z n 1 − y M n y ) 2 A s 2 with independent spin and charge doping Sun, F.; Li, N. N.; Chen, B. J. Physical Review B, Vol. 93, Issue 22 https://doi.org/10.1103/PhysRevB.93.224403	journal	June 2016
Three-Dimensional Magnetic Correlations in Multiferroic LuFe 2 O 4 Christianson, A. D.; Lumsden, M. D.; Angst, M. Physical Review Letters, Vol. 100, Issue 10 https://doi.org/10.1103/PhysRevLett.100.107601	journal	March 2008
Charge Order in LuFe 2 O 4 : Antiferroelectric Ground State and Coupling to Magnetism Angst, M.; Hermann, R. P.; Christianson, A. D. Physical Review Letters, Vol. 101, Issue 22 https://doi.org/10.1103/PhysRevLett.101.227601	journal	November 2008
Charge Order, Dynamics, and Magnetostructural Transition in Multiferroic LuFe 2 O 4 Xu, X. S.; Angst, M.; Brinzari, T. V. Physical Review Letters, Vol. 101, Issue 22 https://doi.org/10.1103/PhysRevLett.101.227602	journal	November 2008
Direct Observation of Charge Order and an Orbital Glass State in Multiferroic LuFe 2 O 4 Mulders, A. M.; Lawrence, S. M.; Staub, U. Physical Review Letters, Vol. 103, Issue 7 https://doi.org/10.1103/PhysRevLett.103.077602	journal	August 2009
Electronic Origin of Giant Magnetic Anisotropy in Multiferroic LuFe 2 O 4 Ko, K. -T.; Noh, H. -J.; Kim, J. -Y. Physical Review Letters, Vol. 103, Issue 20 https://doi.org/10.1103/PhysRevLett.103.207202	journal	November 2009
Pressure-Induced Structural Transition in LuFe 2 O 4 : Towards a New Charge Ordered State Rouquette, J.; Haines, J.; Al-Zein, A. Physical Review Letters, Vol. 105, Issue 23 https://doi.org/10.1103/PhysRevLett.105.237203	journal	December 2010
Charge Order in LuFe 2 O 4 : An Unlikely Route to Ferroelectricity de Groot, J.; Mueller, T.; Rosenberg, R. A. Physical Review Letters, Vol. 108, Issue 18 https://doi.org/10.1103/PhysRevLett.108.187601	journal	May 2012
Charge-Lattice Coupling in Hole-Doped LuFe 2 O 4 + δ : The Origin of Second-Order Modulation Deng, Shiqing; Wu, Lijun; Cheng, Hao Physical Review Letters, Vol. 122, Issue 12 https://doi.org/10.1103/PhysRevLett.122.126401	journal	March 2019
Effect of Oxygen Interstitial Ordering on Multiple Order Parameters in Rare Earth Ferrite Zhang, Yang; Wang, Wenbin; Xing, Wandong Physical Review Letters, Vol. 123, Issue 24 https://doi.org/10.1103/PhysRevLett.123.247601	journal	December 2019
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
Charge Order and the Origin of Giant Magnetocapacitance in LuFe 2 O 4 Xiang, H. J.; Whangbo, M. -H. Physical Review Letters, Vol. 98, Issue 24 https://doi.org/10.1103/PhysRevLett.98.246403	journal	June 2007
Charge-Stripe Order in the Electronic Ferroelectric LuFe 2 O 4 Zhang, Y.; Yang, H. X.; Ma, C. Physical Review Letters, Vol. 98, Issue 24 https://doi.org/10.1103/PhysRevLett.98.247602	journal	June 2007
Electric Polarization, Magnetoelectric Effect, and Orbital State of a Layered Iron Oxide with Frustrated Geometry Nagano, A.; Naka, M.; Nasu, J. Physical Review Letters, Vol. 99, Issue 21 https://doi.org/10.1103/PhysRevLett.99.217202	journal	November 2007
XMCD under pressure at the Fe K edge on the energy-dispersive beamline of the ESRF Mathon, O.; Baudelet, F.; Itié, J. -P. Journal of Synchrotron Radiation, Vol. 11, Issue 5 https://doi.org/10.1107/S0909049504018862	journal	August 2004
P-T Phase Diagram of LuFe2O4 Poienar, Maria; Bourgeois, Julie; Martin, Christine Crystals, Vol. 8, Issue 5 https://doi.org/10.3390/cryst8050184	journal	April 2018
High Pressure Single Crystal Diffraction at PX^2 Zhang, Dongzhou; Dera, Przemyslaw K.; Eng, Peter J. Journal of Visualized Experiments, Issue 119 https://doi.org/10.3791/54660	journal	January 2017

Similar Records

Coexistence and Coupling of Multiple Charge Orderings and Spin States in Hexagonal Ferrite

Journal Article · Fri Jun 25 00:00:00 UTC 2021 · Nano Letters · OSTI ID:1812506

Cheng, Shaobo; Li, Xing; Xu, Changsong; +8 more

Comparative Study on the Charge-Ordered and Mixed-Valence Phases of LuFe{sub 2}O{sub 4} via First-Principles Calculations

Journal Article · Sat Sep 15 04:00:00 UTC 2018 · Journal of Superconductivity and Novel Magnetism · OSTI ID:22773828

Mahmoudi, A.; Faraoun, H. I.; Merad, G.

Charge ordering, ferroelectric, and magnetic domains in LuFe{sub 2}O{sub 4} observed by scanning probe microscopy

Journal Article · Mon Apr 13 04:00:00 UTC 2015 · Applied Physics Letters · OSTI ID:22398903

Yang, I. K.; Kim, Jeehoon; Lee, S. H.; +1 more

Related Subjects

36 MATERIALS SCIENCE

Title: Pressure-induced charge orders and their postulated coupling to magnetism in hexagonal multiferroic LuFe2O4

Citation Formats

References (44)

Similar Records

Related Subjects

Title: Pressure-induced charge orders and their postulated coupling to magnetism in hexagonal multiferroic LuFe₂O₄