skip to main content
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

This content will become publicly available on March 27, 2020

Title: Charge-Lattice Coupling in Hole-Doped LuFe 2 O 4 + δ : The Origin of Second-Order Modulation

Abstract

Understanding singularities in ordered structures, such as dislocations in lattice modulation and solitons in charge ordering, offers great opportunities to disentangle the interactions between the electronic degrees of freedom and the lattice. Specifically, a modulated structure has traditionally been expressed in the form of a discrete Fourier series with a constant phase and amplitude for each component. We report atomic scale observation and analysis of a new modulation wave in hole-doped $${\mathrm{LuFe}}_{2}{\mathrm{O}}_{4+{\delta}}$$ that requires significant modifications to the conventional modeling of ordered structures. This new modulation with an unusual quasiperiodic singularity can be accurately described only by introducing a well-defined secondary modulation vector in both the phase and amplitude parameter spaces. Correlated with density-functional-theory (DFT) calculations, our results reveal that those singularities originate from the discontinuity of lattice displacement induced by interstitial oxygen in the system. The approach of our work is applicable to a wide range of ordered systems, advancing our understanding of the nature of singularity and modulation.

Authors:
 [1];  [2];  [3];  [3];  [1];  [2];  [4];  [5];  [2];  [6];  [2]
  1. Tsinghua Univ., Beijing (China). School of Materials Science and Engineering; Brookhaven National Lab. (BNL), Upton, NY (United States). Condensed Matter Physics and Materials Science Dept.
  2. Brookhaven National Lab. (BNL), Upton, NY (United States). Condensed Matter Physics and Materials Science Dept.
  3. Xiamen Univ. (China). Dept. of Physics
  4. Fudan Univ., Shanghai (China). Inst. of Nanoelectronic Devices and Quantum Computing
  5. Fudan Univ., Shanghai (China). Dept. of Physics
  6. Tsinghua Univ., Beijing (China). School of Materials Science and Engineering
Publication Date:
Research Org.:
Brookhaven National Lab. (BNL), Upton, NY (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22); National Natural Science Foundation of China (NNSFC); National 973 Project of China; China Scholarship Council; National Key Research and Development Program of China; Program of Shanghai Academic Research Leader (China)
OSTI Identifier:
1515150
Report Number(s):
BNL-211706-2019-JAAM
Journal ID: ISSN 0031-9007
Grant/Contract Number:  
SC0012704; 51390471; 11504053; 2015CB654902; 2016YFA0300702; 17XD1400400
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review Letters
Additional Journal Information:
Journal Volume: 122; Journal Issue: 12; Journal ID: ISSN 0031-9007
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Deng, Shiqing, Wu, Lijun, Cheng, Hao, Zheng, Jin-Cheng, Cheng, Shaobo, Li, Jun, Wang, Wenbin, Shen, Jian, Tao, Jing, Zhu, Jing, and Zhu, Yimei. Charge-Lattice Coupling in Hole-Doped LuFe2O4+δ : The Origin of Second-Order Modulation. United States: N. p., 2019. Web. doi:10.1103/PhysRevLett.122.126401.
Deng, Shiqing, Wu, Lijun, Cheng, Hao, Zheng, Jin-Cheng, Cheng, Shaobo, Li, Jun, Wang, Wenbin, Shen, Jian, Tao, Jing, Zhu, Jing, & Zhu, Yimei. Charge-Lattice Coupling in Hole-Doped LuFe2O4+δ : The Origin of Second-Order Modulation. United States. doi:10.1103/PhysRevLett.122.126401.
Deng, Shiqing, Wu, Lijun, Cheng, Hao, Zheng, Jin-Cheng, Cheng, Shaobo, Li, Jun, Wang, Wenbin, Shen, Jian, Tao, Jing, Zhu, Jing, and Zhu, Yimei. Wed . "Charge-Lattice Coupling in Hole-Doped LuFe2O4+δ : The Origin of Second-Order Modulation". United States. doi:10.1103/PhysRevLett.122.126401.
@article{osti_1515150,
title = {Charge-Lattice Coupling in Hole-Doped LuFe2O4+δ : The Origin of Second-Order Modulation},
author = {Deng, Shiqing and Wu, Lijun and Cheng, Hao and Zheng, Jin-Cheng and Cheng, Shaobo and Li, Jun and Wang, Wenbin and Shen, Jian and Tao, Jing and Zhu, Jing and Zhu, Yimei},
abstractNote = {Understanding singularities in ordered structures, such as dislocations in lattice modulation and solitons in charge ordering, offers great opportunities to disentangle the interactions between the electronic degrees of freedom and the lattice. Specifically, a modulated structure has traditionally been expressed in the form of a discrete Fourier series with a constant phase and amplitude for each component. We report atomic scale observation and analysis of a new modulation wave in hole-doped ${\mathrm{LuFe}}_{2}{\mathrm{O}}_{4+{\delta}}$ that requires significant modifications to the conventional modeling of ordered structures. This new modulation with an unusual quasiperiodic singularity can be accurately described only by introducing a well-defined secondary modulation vector in both the phase and amplitude parameter spaces. Correlated with density-functional-theory (DFT) calculations, our results reveal that those singularities originate from the discontinuity of lattice displacement induced by interstitial oxygen in the system. The approach of our work is applicable to a wide range of ordered systems, advancing our understanding of the nature of singularity and modulation.},
doi = {10.1103/PhysRevLett.122.126401},
journal = {Physical Review Letters},
number = 12,
volume = 122,
place = {United States},
year = {2019},
month = {3}
}

Journal Article:
Free Publicly Available Full Text
This content will become publicly available on March 27, 2020
Publisher's Version of Record

Citation Metrics:
Cited by: 1 work
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

Generalized Gradient Approximation Made Simple
journal, October 1996

  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

Atomic-resolution chemical imaging of oxygen local bonding environments by electron energy loss spectroscopy
journal, July 2012

  • Mundy, Julia A.; Mao, Qingyun; Brooks, Charles M.
  • Applied Physics Letters, Vol. 101, Issue 4
  • DOI: 10.1063/1.4737208

Topological insulators and superconductors
journal, October 2011


QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
journal, September 2009

  • Giannozzi, Paolo; Baroni, Stefano; Bonini, Nicola
  • Journal of Physics: Condensed Matter, Vol. 21, Issue 39, Article No. 395502
  • DOI: 10.1088/0953-8984/21/39/395502

Bending and breaking of stripes in a charge ordered manganite
journal, December 2017

  • Savitzky, Benjamin H.; El Baggari, Ismail; Admasu, Alemayehu S.
  • Nature Communications, Vol. 8, Issue 1
  • DOI: 10.1038/s41467-017-02156-1

Nature and evolution of incommensurate charge order in manganites visualized with cryogenic scanning transmission electron microscopy
journal, January 2018

  • El Baggari, Ismail; Savitzky, Benjamin H.; Admasu, Alemayehu S.
  • Proceedings of the National Academy of Sciences, Vol. 115, Issue 7
  • DOI: 10.1073/pnas.1714901115

The determination of Ti, Mn and Fe oxidation states in minerals by electron energy-loss spectroscopy
journal, January 1985


Charge-Stripe Order in the Electronic Ferroelectric LuFe 2 O 4
journal, June 2007


The Peak Pairs algorithm for strain mapping from HRTEM images
journal, November 2007


Oxidation state and chemical shift investigation in transition metal oxides by EELS
journal, May 2012


Atomic Mechanism of Hybridization-Dependent Surface Reconstruction with Tailored Functionality in Hexagonal Multiferroics
journal, August 2017

  • Deng, Shiqing; Cheng, Shaobo; Xu, Changsong
  • ACS Applied Materials & Interfaces, Vol. 9, Issue 32
  • DOI: 10.1021/acsami.7b08055

Quantification of ferrous/ferric ratios in minerals: new evaluation schemes of Fe L 23 electron energy-loss near-edge spectra
journal, April 2002


Minimization of Ga Induced FIB Damage Using Low Energy Clean-up
journal, July 2006


Oxygen storage capacity and structural flexibility of LuFe2O4+x (0≤x≤0.5)
journal, November 2013

  • Hervieu, M.; Guesdon, A.; Bourgeois, J.
  • Nature Materials, Vol. 13, Issue 1
  • DOI: 10.1038/nmat3809

On the structure and symmetry of incommensurate phases. A practical formulation
journal, March 1987

  • Perez-Mato, J. M.; Madariaga, G.; Zuñiga, F. J.
  • Acta Crystallographica Section A Foundations of Crystallography, Vol. 43, Issue 2
  • DOI: 10.1107/S0108767387099537

Anti-phase domains and magnetism in epitaxial magnetite layers
journal, April 1999

  • Hibma, T.; Voogt, F. C.; Niesen, L.
  • Journal of Applied Physics, Vol. 85, Issue 8
  • DOI: 10.1063/1.369857

Charge and spin ordering process in the mixed-valence system LuFe 2 O 4 : Charge ordering
journal, November 2000


Charge Order in LuFe 2 O 4 : An Unlikely Route to Ferroelectricity
journal, May 2012


Direct observation of competition between superconductivity and charge density wave order in YBa2Cu3O6.67
journal, October 2012

  • Chang, J.; Blackburn, E.; Holmes, A. T.
  • Nature Physics, Vol. 8, Issue 12
  • DOI: 10.1038/nphys2456

Orbital textures and charge density waves in transition metal dichalcogenides
journal, March 2015

  • Ritschel, T.; Trinckauf, J.; Koepernik, K.
  • Nature Physics, Vol. 11, Issue 4
  • DOI: 10.1038/nphys3267

Direct Observation of Charge Order in an Epitaxial NdNiO 3 Film
journal, March 2002


Structure, charge ordering and physical properties of Lu Fe 2 O 4
journal, November 2007


Pseudopotentials for high-throughput DFT calculations
journal, January 2014


The Incommensurate Modulation of the 2212 Bi-Sr-Ca-Cu-O Superconductor
journal, August 1988


Ferroelectricity from iron valence ordering in the charge-frustrated system LuFe2O4
journal, August 2005

  • Ikeda, Naoshi; Ohsumi, Hiroyuki; Ohwada, Kenji
  • Nature, Vol. 436, Issue 7054
  • DOI: 10.1038/nature04039

Symmetry operations for displacively modulated structures
journal, May 1977


Origin of the Anomalous Magnetic Behavior in Single Crystal Fe 3 O 4 Films
journal, December 1997


Anomalous nanoclusters, anisotropy, and electronic nematicity in the doped manganite L a 1 / 3 C a 2 / 3 Mn O 3
journal, June 2017


TEM Sample Preparation and FIB-Induced Damage
journal, May 2007

  • Mayer, Joachim; Giannuzzi, Lucille A.; Kamino, Takeo
  • MRS Bulletin, Vol. 32, Issue 5
  • DOI: 10.1557/mrs2007.63

Complexity in Strongly Correlated Electronic Systems
journal, July 2005


Defects in correlated metals and superconductors
journal, January 2009


Phase fluctuations and the absence of topological defects in a photo-excited charge-ordered nickelate
journal, January 2012

  • Lee, W. S.; Chuang, Y. D.; Moore, R. G.
  • Nature Communications, Vol. 3, Issue 1
  • DOI: 10.1038/ncomms1837

Elastic and plastic deformations of charge density waves
journal, January 1988


Diverging strains in the phase-deformation model of sliding charge-density waves
journal, October 1991


Modelling high-resolution electron microscopy based on core-loss spectroscopy
journal, October 2006


Electron energy-loss near-edge structures of 3d transition metal oxides recorded at high-energy resolution
journal, September 2003


Fermi-liquid instabilities at magnetic quantum phase transitions
journal, August 2007

  • Löhneysen, Hilbert v.; Rosch, Achim; Vojta, Matthias
  • Reviews of Modern Physics, Vol. 79, Issue 3
  • DOI: 10.1103/RevModPhys.79.1015

Long-Range Incommensurate Charge Fluctuations in (Y,Nd)Ba2Cu3O6+x
journal, July 2012


Symmetry of charge order in cuprates
journal, May 2015

  • Comin, R.; Sutarto, R.; He, F.
  • Nature Materials, Vol. 14, Issue 8
  • DOI: 10.1038/nmat4295

Structures of LuFeCoO4 and LuFe2O4
journal, October 1990

  • Isobe, M.; Kimizuka, N.; Iida, J.
  • Acta Crystallographica Section C Crystal Structure Communications, Vol. 46, Issue 10
  • DOI: 10.1107/S0108270190004784

Elnes of 3d transition-metal oxides
journal, May 1990


Structure factor of modulated crystal structures
journal, January 1982


Direct observation of electronic-liquid-crystal phase transitions and their microscopic origin in La1/3Ca2/3MnO3
journal, November 2016

  • Tao, J.; Sun, K.; Yin, W. -G.
  • Scientific Reports, Vol. 6, Issue 1
  • DOI: 10.1038/srep37624

Extreme chemical sensitivity of nonlinear conductivity in charge-ordered LuFe2O4
journal, March 2012

  • Cao, Shi; Li, Jun; Wang, Zhen
  • Scientific Reports, Vol. 2, Issue 1
  • DOI: 10.1038/srep00330

2D Atomic Mapping of Oxidation States in Transition Metal Oxides by Scanning Transmission Electron Microscopy and Electron Energy-Loss Spectroscopy
journal, September 2011