Noncollinear Magnetic Structure and Multipolar Order in
Abstract
The magnetic properties of the pyrochlore iridate material Eu2Ir2O7 (5d5) have been studied based on first principles calculations, where the crystal field splitting Δ , spin-orbit coupling (SOC) λ, and Coulomb interaction U within Ir 5 d orbitals all play significant roles. The ground state phase diagram has been obtained with respect to the strength of SOC and Coulomb interaction U , where a stable antiferromagnetic ground state with all-in–all-out (AIAO) spin structure has been found. In addition, another antiferromagnetic state with energy close to AIAO has also been found to be stable. The calculated nonlinear magnetization of the two stable states both have the d -wave pattern but with a π/4 phase difference, which can perfectly explain the experimentally observed nonlinear magnetization pattern. Finally, compared with the results of the nondistorted structure, it turns out that the trigonal lattice distortion is crucial for stabilizing the AIAO state in Eu2Ir2O7. Furthermore, besides large dipolar moments, we also find considerable octupolar moments in the magnetic states.
- Authors:
-
- Chinese Academy of Sciences (CAS), Beijing (China). Beijing National Lab. for Condensed Matter Physics, and Inst. of Physics
- Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States). Dept. of Physics
- Chinese Academy of Sciences (CAS), Beijing (China). Beijing National Lab. for Condensed Matter Physics, and Inst. of Physics; Collaborative Innovation Center of Quantum Matter, Beijing (China); Univ. of Science and Technology of China, Hong Kong (China). Dept. of Physics
- Publication Date:
- Research Org.:
- Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)
- Sponsoring Org.:
- USDOE
- OSTI Identifier:
- 1505747
- Alternate Identifier(s):
- OSTI ID: 1406646
- Grant/Contract Number:
- SC0010526; 2013CB921700
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Review Letters
- Additional Journal Information:
- Journal Volume: 119; Journal Issue: 18; Journal ID: ISSN 0031-9007
- 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
Wang, Yilin, Weng, Hongming, Fu, Liang, and Dai, Xi. Noncollinear Magnetic Structure and Multipolar Order in Eu2Ir2O7. United States: N. p., 2017.
Web. doi:10.1103/physrevlett.119.187203.
Wang, Yilin, Weng, Hongming, Fu, Liang, & Dai, Xi. Noncollinear Magnetic Structure and Multipolar Order in Eu2Ir2O7. United States. https://doi.org/10.1103/physrevlett.119.187203
Wang, Yilin, Weng, Hongming, Fu, Liang, and Dai, Xi. Thu .
"Noncollinear Magnetic Structure and Multipolar Order in Eu2Ir2O7". United States. https://doi.org/10.1103/physrevlett.119.187203. https://www.osti.gov/servlets/purl/1505747.
@article{osti_1505747,
title = {Noncollinear Magnetic Structure and Multipolar Order in Eu2Ir2O7},
author = {Wang, Yilin and Weng, Hongming and Fu, Liang and Dai, Xi},
abstractNote = {The magnetic properties of the pyrochlore iridate material Eu2Ir2O7 (5d5) have been studied based on first principles calculations, where the crystal field splitting Δ , spin-orbit coupling (SOC) λ, and Coulomb interaction U within Ir 5 d orbitals all play significant roles. The ground state phase diagram has been obtained with respect to the strength of SOC and Coulomb interaction U , where a stable antiferromagnetic ground state with all-in–all-out (AIAO) spin structure has been found. In addition, another antiferromagnetic state with energy close to AIAO has also been found to be stable. The calculated nonlinear magnetization of the two stable states both have the d -wave pattern but with a π/4 phase difference, which can perfectly explain the experimentally observed nonlinear magnetization pattern. Finally, compared with the results of the nondistorted structure, it turns out that the trigonal lattice distortion is crucial for stabilizing the AIAO state in Eu2Ir2O7. Furthermore, besides large dipolar moments, we also find considerable octupolar moments in the magnetic states.},
doi = {10.1103/physrevlett.119.187203},
journal = {Physical Review Letters},
number = 18,
volume = 119,
place = {United States},
year = {Thu Nov 02 00:00:00 EDT 2017},
month = {Thu Nov 02 00:00:00 EDT 2017}
}
Web of Science
Figures / Tables:
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
Determination of long-range all-in-all-out ordering of Ir moments in a pyrochlore iridate Eu Ir O by resonant x-ray diffraction
journal, March 2013
- Sagayama, H.; Uematsu, D.; Arima, T.
- Physical Review B, Vol. 87, Issue 10
Time-Reversal Symmetry Breaking and Consequent Physical Responses Induced by All-In-All-Out Type Magnetic Order on the Pyrochlore Lattice
journal, January 2013
- Arima, Taka-hisa
- Journal of the Physical Society of Japan, Vol. 82, Issue 1
Suppression of metal-insulator transition at high pressure and pressure-induced magnetic ordering in pyrochlore oxide Nd Ir O
journal, January 2011
- Sakata, Masafumi; Kagayama, Tomoko; Shimizu, Katsuya
- Physical Review B, Vol. 83, Issue 4
Projector augmented-wave method
journal, December 1994
- Blöchl, P. E.
- Physical Review B, Vol. 50, Issue 24, p. 17953-17979
Maximally localized Wannier functions: Theory and applications
journal, October 2012
- Marzari, Nicola; Mostofi, Arash A.; Yates, Jonathan R.
- Reviews of Modern Physics, Vol. 84, Issue 4
Metal-Nonmetal Changeover in Pyrochlore Iridates
journal, October 2001
- Yanagishima, Daiki; Maeno, Yoshiteru
- Journal of the Physical Society of Japan, Vol. 70, Issue 10
Correlation effects in pyrochlore iridate thin films grown along the [111] direction
journal, August 2015
- Chen, Qi; Hung, Hsiang-Hsuan; Hu, Xiang
- Physical Review B, Vol. 92, Issue 8
Spin-orbit coupling in iridium-based 5 compounds probed by x-ray absorption spectroscopy
journal, November 2012
- Clancy, J. P.; Chen, N.; Kim, C. Y.
- Physical Review B, Vol. 86, Issue 19
Correlated Quantum Phenomena in the Strong Spin-Orbit Regime
journal, March 2014
- Witczak-Krempa, William; Chen, Gang; Kim, Yong Baek
- Annual Review of Condensed Matter Physics, Vol. 5, Issue 1
Phase Diagram of Pyrochlore Iridates: All-in–All-out Magnetic Ordering and Non-Fermi-Liquid Properties
journal, October 2015
- Shinaoka, Hiroshi; Hoshino, Shintaro; Troyer, Matthias
- Physical Review Letters, Vol. 115, Issue 15
Influence of hydrostatic pressure on the bulk magnetic properties of
journal, March 2016
- Prando, G.; Dally, R.; Schottenhamel, W.
- Physical Review B, Vol. 93, Issue 10
First Principles Prediction of Topological Phases in Thin Films of Pyrochlore Iridates
journal, June 2015
- Hu, Xiang; Zhong, Zhicheng; Fiete, Gregory A.
- Scientific Reports, Vol. 5, Issue 1
Mott physics and band topology in materials with strong spin–orbit interaction
journal, March 2010
- Pesin, Dmytro; Balents, Leon
- Nature Physics, Vol. 6, Issue 5
Evidence of an odd-parity hidden order in a spin–orbit coupled correlated iridate
journal, October 2015
- Zhao, L.; Torchinsky, D. H.; Chu, H.
- Nature Physics, Vol. 12, Issue 1
wannier90: A tool for obtaining maximally-localised Wannier functions
journal, May 2008
- Mostofi, Arash A.; Yates, Jonathan R.; Lee, Young-Su
- Computer Physics Communications, Vol. 178, Issue 9
Competing exotic topological insulator phases in transition-metal oxides on the pyrochlore lattice with distortion
journal, April 2011
- Kargarian, Mehdi; Wen, Jun; Fiete, Gregory A.
- Physical Review B, Vol. 83, Issue 16
Topological Insulators from Spontaneous Symmetry Breaking Induced by Electron Correlation on Pyrochlore Lattices
journal, April 2011
- Kurita, Moyuru; Yamaji, Youhei; Imada, Masatoshi
- Journal of the Physical Society of Japan, Vol. 80, Issue 4
From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999
- Kresse, G.; Joubert, D.
- Physical Review B, Vol. 59, Issue 3, p. 1758-1775
Slater to Mott Crossover in the Metal to Insulator Transition of
journal, July 2016
- Nakayama, M.; Kondo, Takeshi; Tian, Z.
- Physical Review Letters, Vol. 117, Issue 5
X-ray circular dichroism and local magnetic fields
journal, February 1993
- Carra, Paolo; Thole, B. T.; Altarelli, Massimo
- Physical Review Letters, Vol. 70, Issue 5
Large trigonal-field effect on spin-orbit coupled states in a pyrochlore iridate
journal, September 2015
- Uematsu, Daisuke; Sagayama, Hajime; Arima, Taka-hisa
- Physical Review B, Vol. 92, Issue 9
Metal–Insulator Transitions in Pyrochlore Oxides Ln 2 Ir 2 O 7
journal, September 2011
- Matsuhira, Kazuyuki; Wakeshima, Makoto; Hinatsu, Yukio
- Journal of the Physical Society of Japan, Vol. 80, Issue 9
Optical evidence for a Weyl semimetal state in pyrochlore
journal, December 2015
- Sushkov, A. B.; Hofmann, J. B.; Jenkins, G. S.
- Physical Review B, Vol. 92, Issue 24
Quadratic Fermi node in a 3D strongly correlated semimetal
journal, December 2015
- Kondo, Takeshi; Nakayama, M.; Chen, R.
- Nature Communications, Vol. 6, Issue 1
Topological insulators and metal-insulator transition in the pyrochlore iridates
journal, August 2010
- Yang, Bohm-Jung; Kim, Yong Baek
- Physical Review B, Vol. 82, Issue 8
Metallic Interface Emerging at Magnetic Domain Wall of Antiferromagnetic Insulator: Fate of Extinct Weyl Electrons
journal, May 2014
- Yamaji, Youhei; Imada, Masatoshi
- Physical Review X, Vol. 4, Issue 2
Scattering operator for elastic and inelastic resonant x-ray scattering
journal, July 1993
- Luo, Jin; Trammell, G. T.; Hannon, J. P.
- Physical Review Letters, Vol. 71, Issue 2
Magnetic orders and topological phases from - exchange in pyrochlore iridates
journal, December 2012
- Chen, Gang; Hermele, Michael
- Physical Review B, Vol. 86, Issue 23
Unconventional Anomalous Hall Effect Enhanced by a Noncoplanar Spin Texture in the Frustrated Kondo Lattice
journal, January 2007
- Machida, Y.; Nakatsuji, S.; Maeno, Y.
- Physical Review Letters, Vol. 98, Issue 5
Magnetic ordering in Gd 2 Sn 2 O 7 : the archetypal Heisenberg pyrochlore antiferromagnet
journal, January 2006
- Wills, A. S.; Zhitomirsky, M. E.; Canals, B.
- Journal of Physics: Condensed Matter, Vol. 18, Issue 3
Variation of optical conductivity spectra in the course of bandwidth-controlled metal-insulator transitions in pyrochlore iridates
journal, June 2016
- Ueda, K.; Fujioka, J.; Tokura, Y.
- Physical Review B, Vol. 93, Issue 24
Continuous transition between antiferromagnetic insulator and paramagnetic metal in the pyrochlore iridate Eu Ir O
journal, June 2012
- Ishikawa, Jun J.; O'Farrell, Eoin C. T.; Nakatsuji, Satoru
- Physical Review B, Vol. 85, Issue 24
Metal–Insulator Transition in Pyrochlore Iridates Ln 2 Ir 2 O 7 ( Ln = Nd, Sm, and Eu)
journal, April 2007
- Matsuhira, Kazuyuki; Wakeshima, Makoto; Nakanishi, Ryo
- Journal of the Physical Society of Japan, Vol. 76, Issue 4
Comparative study of low-temperature x-ray diffraction experiments on ( , Eu, and Pr)
journal, December 2014
- Takatsu, Hiroshi; Watanabe, Kunihiko; Goto, Kazuki
- Physical Review B, Vol. 90, Issue 23
Magnetic properties of iridium pyrochlores R 2 Ir 2 O 7 (R = Y, Sm, Eu and Lu)
journal, May 2001
- Taira, Nobuyuki; Wakeshima, Makoto; Hinatsu, Yukio
- Journal of Physics: Condensed Matter, Vol. 13, Issue 23
Magnetic pyrochlore oxides
journal, January 2010
- Gardner, Jason S.; Gingras, Michel J. P.; Greedan, John E.
- Reviews of Modern Physics, Vol. 82, Issue 1
Magnetic order in the pyrochlore iridates Ir O ( = Y, Yb)
journal, July 2012
- Disseler, S. M.; Dhital, Chetan; Amato, A.
- Physical Review B, Vol. 86, Issue 1
Topological and magnetic phases of interacting electrons in the pyrochlore iridates
journal, January 2012
- Witczak-Krempa, William; Kim, Yong Baek
- Physical Review B, Vol. 85, Issue 4
Metal-insulator transitions
journal, October 1998
- Imada, Masatoshi; Fujimori, Atsushi; Tokura, Yoshinori
- Reviews of Modern Physics, Vol. 70, Issue 4, p. 1039-1263
Local density approximation combined with Gutzwiller method for correlated electron systems: Formalism and applications
journal, February 2009
- Deng, XiaoYu; Wang, Lei; Dai, Xi
- Physical Review B, Vol. 79, Issue 7
Topological phases in layered pyrochlore oxide thin films along the [111] direction
journal, December 2012
- Hu, Xiang; Rüegg, Andreas; Fiete, Gregory A.
- Physical Review B, Vol. 86, Issue 23
Time-reversal symmetry breaking and spontaneous Hall effect without magnetic dipole order
journal, December 2009
- Machida, Yo; Nakatsuji, Satoru; Onoda, Shigeki
- Nature, Vol. 463, Issue 7278
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996
- Kresse, G.; Furthmüller, J.
- Physical Review B, Vol. 54, Issue 16, p. 11169-11186
Spin and Orbital Contributions to Magnetically Ordered Moments in Layered Perovskite
journal, January 2014
- Fujiyama, S.; Ohsumi, H.; Ohashi, K.
- Physical Review Letters, Vol. 112, Issue 1
Orthogonal magnetization and symmetry breaking in pyrochlore iridate Eu2Ir2O7
journal, February 2017
- Liang, Tian; Hsieh, Timothy H.; Ishikawa, Jun J.
- Nature Physics, Vol. 13, Issue 6
Crystal growth and structure of R2Ir2O7 (R=Pr, Eu) using molten KF
journal, May 2007
- Millican, Jasmine N.; Macaluso, Robin T.; Nakatsuji, Satoru
- Materials Research Bulletin, Vol. 42, Issue 5
Orbital Magnetism and Spin-Orbit Effects in the Electronic Structure of
journal, November 2010
- Laguna-Marco, M. A.; Haskel, D.; Souza-Neto, N.
- Physical Review Letters, Vol. 105, Issue 21
Magnetic transition, long-range order, and moment fluctuations in the pyrochlore iridate Eu Ir O
journal, May 2011
- Zhao, Songrui; Mackie, J. M.; MacLaughlin, D. E.
- Physical Review B, Vol. 83, Issue 18
Modulated helical metals at magnetic domain walls of pyrochlore iridium oxides
journal, May 2016
- Yamaji, Youhei; Imada, Masatoshi
- Physical Review B, Vol. 93, Issue 19
Direct evidence for the all-in/all-out magnetic structure in the pyrochlore iridates from muon spin relaxation
journal, April 2014
- Disseler, Steven M.
- Physical Review B, Vol. 89, Issue 14
Metal-Insulator Transition and Topological Properties of Pyrochlore Iridates
journal, January 2017
- Zhang, Hongbin; Haule, Kristjan; Vanderbilt, David
- Physical Review Letters, Vol. 118, Issue 2
Pyrochlore electrons under pressure, heat, and field: Shedding light on the iridates
journal, April 2013
- Witczak-Krempa, William; Go, Ara; Kim, Yong Baek
- Physical Review B, Vol. 87, Issue 15
Multipolar interactions in -electron systems: The paradigm of actinide dioxides
journal, June 2009
- Santini, Paolo; Carretta, Stefano; Amoretti, Giuseppe
- Reviews of Modern Physics, Vol. 81, Issue 2
Three-Dimensional Topological Insulators on the Pyrochlore Lattice
journal, November 2009
- Guo, H. -M.; Franz, M.
- Physical Review Letters, Vol. 103, Issue 20
Pressure-tuned insulator to metal transition in
journal, May 2012
- Tafti, F. F.; Ishikawa, J. J.; McCollam, A.
- Physical Review B, Vol. 85, Issue 20
Mobile metallic domain walls in an all-in-all-out magnetic insulator
journal, October 2015
- Ma, E. Y.; Cui, Y. -T.; Ueda, K.
- Science, Vol. 350, Issue 6260
Topological semimetal and Fermi-arc surface states in the electronic structure of pyrochlore iridates
journal, May 2011
- Wan, Xiangang; Turner, Ari M.; Vishwanath, Ashvin
- Physical Review B, Vol. 83, Issue 20
Metal-insulator transitions
journal, June 1991
- Paesler, Michael
- Journal of Non-Crystalline Solids, Vol. 130, Issue 1
Reducing Dzyaloshinskii-Moriya interaction and field-free spin-orbit torque switching in synthetic antiferromagnets
journal, May 2021
- Chen, Ruyi; Cui, Qirui; Liao, Liyang
- Nature Communications, Vol. 12, Issue 1
Electronic structure of AlFeN films exhibiting crystallographic orientation change from c- to a-axis with Fe concentrations and annealing effect
journal, February 2020
- Tatemizo, Nobuyuki; Imada, Saki; Okahara, Kizuna
- Scientific Reports, Vol. 10, Issue 1
Topological Insulators from Spontaneous Symmetry Breaking Induced by Electron Correlation on Pyrochlore Lattices
text, January 2010
- Kurita, Moyuru; Yamaji, Youhei; Imada, Masatoshi
- arXiv
Maximally localized Wannier functions: Theory and applications
text, January 2011
- Marzari, Nicola; Mostofi, Arash A.; Yates, Jonathan R.
- arXiv
Spin-Orbit Coupling in Iridium-Based 5d Compounds Probed by X-ray Absorption Spectroscopy
text, January 2012
- Clancy, J. P.; Chen, N.; Kim, C. Y.
- arXiv
Topological phases in layered pyrochlore oxide thin films along the [111] direction
text, January 2012
- Hu, Xiang; Rüegg, Andreas; Fiete, Gregory A.
- arXiv
Correlated quantum phenomena in the strong spin-orbit regime
text, January 2013
- Witczak-Krempa, William; Chen, Gang; Kim, Yong Baek
- arXiv
Metallic Interface Emerging at Magnetic Domain Wall of Antiferromagnetic Insulator---Fate of Extinct Weyl Electrons
text, January 2013
- Yamaji, Youhei; Imada, Masatoshi
- arXiv
First Principles Prediction of Topological Phases in Thin Films of Pyrochlore Iridates
text, January 2014
- Hu, Xiang; Zhong, Zhicheng; Fiete, Gregory A.
- arXiv
Phase diagram of pyrochlore iridates: all-in-all-out magnetic ordering and non-Fermi liquid properties
text, January 2015
- Shinaoka, Hiroshi; Hoshino, Shintaro; Troyer, Matthias
- arXiv
Quadratic Fermi Node in a 3D Strongly Correlated Semimetal
text, January 2015
- Kondo, Takeshi; Nakayama, M.; Chen, R.
- arXiv
Influence of hydrostatic pressure on the bulk magnetic properties of Eu$_{2}$Ir$_{2}$O$_{7}$
text, January 2015
- Prando, G.; Dally, R.; Schottenhamel, W.
- arXiv
Metal-Nonmetal Changeover in Pyrochlore Iridates
text, January 2001
- Yanagishima, D.; Maeno, Y.
- arXiv
Works referencing / citing this record:
All-optical nonequilibrium pathway to stabilising magnetic Weyl semimetals in pyrochlore iridates
journal, October 2018
- Topp, Gabriel E.; Tancogne-Dejean, Nicolas; Kemper, Alexander F.
- Nature Communications, Vol. 9, Issue 1
All-optical nonequilibrium pathway to stabilizing magnetic Weyl semimetals in pyrochlore iridates
text, January 2018
- Topp, Gabriel E.; Tancogne-Dejean, Nicolas; Kemper, Alexander F.
- arXiv
Figures / Tables found in this record: