Spin–lattice and electron–phonon coupling in 3d/5d hybrid Sr3NiIrO6

O’Neal, Kenneth R.; Paul, Arpita; al-Wahish, Amal; Hughey, Kendall D.; Blockmon, Avery L.; Luo, Xuan; Cheong, Sang-Wook; Zapf, Vivien S.; Topping, Craig V.; Singleton, John; Ozerov, Mykhalo; Birol, Turan; Musfeldt, Janice L.

doi:10.1038/s41535-019-0184-x

Title: Spin–lattice and electron–phonon coupling in 3d/5d hybrid Sr3NiIrO6

Abstract

While 3d-containing materials display strong electron correlations, narrow band widths, and robust magnetism, 5d systems are recognized for strong spin–orbit coupling, increased hybridization, and more diffuse orbitals. Combining these properties leads to novel behavior. Sr₃NiIrO₆, for example, displays complex magnetism and ultra-high coercive fields—up to an incredible 55 T. Here, we combine infrared and optical spectroscopies with high-field magnetization and first-principles calculations to explore the fundamental excitations of the lattice and related coupling processes including spin–lattice and electron–phonon mechanisms. Magneto-infrared spectroscopy reveals spin–lattice coupling of three phonons that modulate the Ir environment to reduce the energy required to modify the spin arrangement. While these modes primarily affect exchange within the chains, analysis also uncovers important inter-chain motion. This provides a mechanism by which inter-chain interactions can occur in the developing model for ultra-high coercivity. At the same time, analysis of the on-site Ir⁴⁺ excitations reveals vibronic coupling and extremely large crystal field parameters that lead to a t_2g-derived low-spin state for Ir. These findings highlight the spin–charge–lattice entanglement in Sr₃NiIrO₆ and suggest that similar interactions may take place in other 3d/5d hybrids.

Authors:

; Paul, Arpita; al-Wahish, Amal; Hughey, Kendall D.; Blockmon, Avery L.; Luo, Xuan; Cheong, Sang-Wook;

; Topping, Craig V.;

;

Publication Date:: 2019-08-21

Research Org.:: Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

Sponsoring Org.:: USDOE; USDOE Office of Science (SC). Basic Energy Sciences (BES) (SC-22)

OSTI Identifier:: 1619757

Alternate Identifier(s):: OSTI ID: 1558967

Report Number(s):: LA-UR-18-31654
Journal ID: ISSN 2397-4648; 48; PII: 184

Grant/Contract Number:: FG02-01ER45885; 89233218CNA000001

Resource Type:: Published Article

Journal Name:: npj Quantum Materials

Additional Journal Information:: Journal Name: npj Quantum Materials Journal Volume: 4 Journal Issue: 1; Journal ID: ISSN 2397-4648

Publisher:: Nature Publishing Group

Country of Publication:: United Kingdom

Language:: English

Subject:: 36 MATERIALS SCIENCE; High Magnetic Field Science

Citation Formats


                    O’Neal, Kenneth R., Paul, Arpita, al-Wahish, Amal, Hughey, Kendall D., Blockmon, Avery L., Luo, Xuan, Cheong, Sang-Wook, Zapf, Vivien S., Topping, Craig V., Singleton, John, Ozerov, Mykhalo, Birol, Turan, and Musfeldt, Janice L. Spin–lattice and electron–phonon coupling in 3d/5d hybrid Sr3NiIrO6.  United Kingdom: N. p., 2019. 
Web.  https://doi.org/10.1038/s41535-019-0184-x.

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                    O’Neal, Kenneth R., Paul, Arpita, al-Wahish, Amal, Hughey, Kendall D., Blockmon, Avery L., Luo, Xuan, Cheong, Sang-Wook, Zapf, Vivien S., Topping, Craig V., Singleton, John, Ozerov, Mykhalo, Birol, Turan, & Musfeldt, Janice L. Spin–lattice and electron–phonon coupling in 3d/5d hybrid Sr3NiIrO6.  United Kingdom.  https://doi.org/10.1038/s41535-019-0184-x

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                    O’Neal, Kenneth R., Paul, Arpita, al-Wahish, Amal, Hughey, Kendall D., Blockmon, Avery L., Luo, Xuan, Cheong, Sang-Wook, Zapf, Vivien S., Topping, Craig V., Singleton, John, Ozerov, Mykhalo, Birol, Turan, and Musfeldt, Janice L. Wed .  
"Spin–lattice and electron–phonon coupling in 3d/5d hybrid Sr3NiIrO6".  United Kingdom.  https://doi.org/10.1038/s41535-019-0184-x.

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@article{osti_1619757,

  title        = {Spin–lattice and electron–phonon coupling in 3d/5d hybrid Sr3NiIrO6},

  author       = {O’Neal, Kenneth R. and Paul, Arpita and al-Wahish, Amal and Hughey, Kendall D. and Blockmon, Avery L. and Luo, Xuan and Cheong, Sang-Wook and Zapf, Vivien S. and Topping, Craig V. and Singleton, John and Ozerov, Mykhalo and Birol, Turan and Musfeldt, Janice L.},

  abstractNote = {While 3d-containing materials display strong electron correlations, narrow band widths, and robust magnetism, 5d systems are recognized for strong spin–orbit coupling, increased hybridization, and more diffuse orbitals. Combining these properties leads to novel behavior. Sr3NiIrO6, for example, displays complex magnetism and ultra-high coercive fields—up to an incredible 55 T. Here, we combine infrared and optical spectroscopies with high-field magnetization and first-principles calculations to explore the fundamental excitations of the lattice and related coupling processes including spin–lattice and electron–phonon mechanisms. Magneto-infrared spectroscopy reveals spin–lattice coupling of three phonons that modulate the Ir environment to reduce the energy required to modify the spin arrangement. While these modes primarily affect exchange within the chains, analysis also uncovers important inter-chain motion. This provides a mechanism by which inter-chain interactions can occur in the developing model for ultra-high coercivity. At the same time, analysis of the on-site Ir4+ excitations reveals vibronic coupling and extremely large crystal field parameters that lead to a t2g-derived low-spin state for Ir. These findings highlight the spin–charge–lattice entanglement in Sr3NiIrO6 and suggest that similar interactions may take place in other 3d/5d hybrids.},

  doi          = {10.1038/s41535-019-0184-x},

  journal      = {npj Quantum Materials},

  number       = 1,

  volume       = 4,

  place        = {United Kingdom},

  year         = {2019},

  month        = {8}

}

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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

Crystal-Field Splitting and Correlation Effect on the Electronic Structure of $A_{2} {IrO}_{3}$
journal, February 2013

Gretarsson, H.; Clancy, J. P.; Liu, X.
Physical Review Letters, Vol. 110, Issue 7
DOI: 10.1103/PhysRevLett.110.076402

Enhanced magnetoelastic coupling in hexagonal multiferroic HoMnO $_{3}$
journal, February 2011

Poirier, Mario; Lemyre, Julien Camirand; Lahaie, Pierre-Olivier
Physical Review B, Vol. 83, Issue 5
DOI: 10.1103/PhysRevB.83.054418

A Family of One-Dimensional Oxides: Sr3MlrO6 (M = Ni, Cu, Zn): Structure and Magnetic Properties
journal, July 1995

Nguyen, T. N.; zur Loye, H. -C.
Journal of Solid State Chemistry, Vol. 117, Issue 2
DOI: 10.1006/jssc.1995.1277

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
DOI: 10.1146/annurev-conmatphys-020911-125138

Magnetoelastic coupling in [Ru $_{2}$ (O $_{2}$ CMe) $_{4}$ ] $_{3}$ [Cr(CN) $_{6}$ ] molecule-based magnet
journal, December 2012

Brinzari, T. V.; Chen, P.; Tung, L. -C.
Physical Review B, Vol. 86, Issue 21
DOI: 10.1103/PhysRevB.86.214411

Phonon-assisted optical excitation in the narrow bandgap Mott insulator ${Sr}_{3}$ ${Ir}_{2}$ $O_{7}$
journal, April 2014

Park, H. J.; Sohn, C. H.; Jeong, D. W.
Physical Review B, Vol. 89, Issue 15
DOI: 10.1103/PhysRevB.89.155115

Superconductivity in WP single crystals
journal, May 2019

Liu, Ziyi; Wu, Wei; Zhao, Zhenzheng
Physical Review B, Vol. 99, Issue 18
DOI: 10.1103/PhysRevB.99.184509

Magnetostriction and magnetic texture to 100.75 Tesla in frustrated SrCu2(BO3)2
journal, July 2012

Jaime, M.; Daou, R.; Crooker, S. A.
Proceedings of the National Academy of Sciences, Vol. 109, Issue 31
DOI: 10.1073/pnas.1200743109

A magnetic study of the one dimensional Sr $\mathsf{_{3}}$ NiIrO $\mathsf{_{6}}$ compound
journal, October 2003

Flahaut, D.; H�bert, S.; Maignan, A.
The European Physical Journal B - Condensed Matter, Vol. 35, Issue 3
DOI: 10.1140/epjb/e2003-00283-3

Nature of the magnetic interactions in ${Sr}_{3} {NiIrO}_{6}$
journal, October 2018

Birol, Turan; Haule, Kristjan; Vanderbilt, David
Physical Review B, Vol. 98, Issue 13
DOI: 10.1103/PhysRevB.98.134432

Pressure-driven collapse of the relativistic electronic ground state in a honeycomb iridate
journal, August 2018

Clancy, J. Patrick; Gretarsson, Hlynur; Sears, Jennifer A.
npj Quantum Materials, Vol. 3, Issue 1
DOI: 10.1038/s41535-018-0109-0

Optical Exciton-Magnon Absorption in Mn $F_{2}$
journal, June 1967

Sell, D. D.; Greene, R. L.; White, Robert M.
Physical Review, Vol. 158, Issue 2
DOI: 10.1103/PhysRev.158.489

Rashba Spin–Orbit Coupling Enhanced Carrier Lifetime in CH ₃ NH ₃ PbI ₃
journal, November 2015

Zheng, Fan; Tan, Liang Z.; Liu, Shi
Nano Letters, Vol. 15, Issue 12
DOI: 10.1021/acs.nanolett.5b01854

Density-functional theory and strong interactions: Orbital ordering in Mott-Hubbard insulators
journal, August 1995

Liechtenstein, A. I.; Anisimov, V. I.; Zaanen, J.
Physical Review B, Vol. 52, Issue 8
DOI: 10.1103/PhysRevB.52.R5467

Magnetoelastic coupling in hexagonal multiferroic $Y Mn O_{3}$ using ultrasound measurements
journal, November 2007

Poirier, Mario; Laliberté, Francis; Pinsard-Gaudart, Loreynne
Physical Review B, Vol. 76, Issue 17
DOI: 10.1103/PhysRevB.76.174426

Intrachain antiferromagnetic interaction and Mott state induced by spin-orbit coupling in Sr3NiIrO6
journal, May 2010

Zhang, G. R.; Zhang, X. L.; Jia, T.
Journal of Applied Physics, Vol. 107, Issue 9
DOI: 10.1063/1.3360339

Partially Disordered Antiferromagnetic Phase in ${Ca}_{3} {CoRhO}_{6}$
journal, October 2001

Niitaka, S.; Yoshimura, K.; Kosuge, K.
Physical Review Letters, Vol. 87, Issue 17
DOI: 10.1103/PhysRevLett.87.177202

Superconductivity in $BaIrS i_{2}$ : A $5 d$ electron system with a noncentrosymmetric crystal structure
journal, February 2019

Isobe, Masaaki; Kimoto, Koji; Arai, Masao
Physical Review B, Vol. 99, Issue 5
DOI: 10.1103/PhysRevB.99.054514

Phase-Sensitive Observation of a Spin-Orbital Mott State in Sr2IrO4
journal, March 2009

Kim, B. J.; Ohsumi, H.; Komesu, T.
Science, Vol. 323, Issue 5919
DOI: 10.1126/science.1167106

Reduced electronic correlation effects in half substituted Ba(Fe _1−x Co _x ) ₂ As ₂
journal, June 2018

Liu, Z. -H.; Yaresko, A. N.; Li, Y.
Applied Physics Letters, Vol. 112, Issue 23
DOI: 10.1063/1.5034488

Anisotropic interactions opposing magnetocrystalline anisotropy in ${Sr}_{3} {NiIrO}_{6}$
journal, June 2016

Lefrançois, E.; Pradipto, A. -M.; Moretti Sala, M.
Physical Review B, Vol. 93, Issue 22
DOI: 10.1103/PhysRevB.93.224401

Testing the Validity of the Strong Spin-Orbit-Coupling Limit for Octahedrally Coordinated Iridate Compounds in a Model System ${Sr}_{3} {CuIrO}_{6}$
journal, October 2012

Liu, X.; Katukuri, Vamshi M.; Hozoi, L.
Physical Review Letters, Vol. 109, Issue 15
DOI: 10.1103/PhysRevLett.109.157401

Optical absorption spectrum of hematite, αFe2O3 near IR to UV
journal, January 1980

Marusak, L. A.; Messier, R.; White, William B.
Journal of Physics and Chemistry of Solids, Vol. 41, Issue 9
DOI: 10.1016/0022-3697(80)90105-5

Sr3NiRhO6 and Sr3CuRhO6—Two New One-Dimensional Oxides. Magnetic Behavior as a Function of Structure: Commensurate vs Incommensurate
journal, March 2002

Stitzer, K. E.; Henley, W. H.; Claridge, J. B.
Journal of Solid State Chemistry, Vol. 164, Issue 2
DOI: 10.1006/jssc.2001.9463

Topological phase transitions between chiral and helical spin textures in a lattice with spin-orbit coupling and a magnetic field
journal, January 2012

Goldman, N.; Beugeling, W.; Morais Smith, C.
EPL (Europhysics Letters), Vol. 97, Issue 2
DOI: 10.1209/0295-5075/97/23003

Spin-Orbit Physics Giving Rise to Novel Phases in Correlated Systems: Iridates and Related Materials
journal, March 2016

Rau, Jeffrey G.; Lee, Eric Kin-Ho; Kee, Hae-Young
Annual Review of Condensed Matter Physics, Vol. 7, Issue 1
DOI: 10.1146/annurev-conmatphys-031115-011319

Formation of Pancakelike Ising Domains and Giant Magnetic Coercivity in Ferrimagnetic ${LuFe}_{2} O_{4}$
journal, September 2008

Wu, Weida; Kiryukhin, V.; Noh, H. -J.
Physical Review Letters, Vol. 101, Issue 13
DOI: 10.1103/PhysRevLett.101.137203

Enhanced Rashba spin-orbit splitting in $Bi ∕ Ag (111)$ and $Pb ∕ Ag (111)$ surface alloys from first principles
journal, May 2007

Bihlmayer, G.; Blügel, S.; Chulkov, E. V.
Physical Review B, Vol. 75, Issue 19
DOI: 10.1103/PhysRevB.75.195414

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996

Kresse, G.; Furthmüller, J.
Computational Materials Science, Vol. 6, Issue 1, p. 15-50
DOI: 10.1016/0927-0256(96)00008-0

On the Absorption Spectra of Complex Ions II
journal, September 1954

Tanabe, Yukito; Sugano, Satoru
Journal of the Physical Society of Japan, Vol. 9, Issue 5
DOI: 10.1143/JPSJ.9.766

Tracking the continuous spin-flop transition in ${Ni}_{3} {TeO}_{6}$ by infrared spectroscopy
journal, October 2015

Yokosuk, Michael O.; Artyukhin, Sergey; al-Wahish, Amal
Physical Review B, Vol. 92, Issue 14
DOI: 10.1103/PhysRevB.92.144305

Systematic analysis of spectroscopic characteristics of heavy transition metal ions with 4dN and 5dN (N=1…10) electronic configurations in a free state
journal, January 2014

Ma, C. -G.; Brik, M. G.
Journal of Luminescence, Vol. 145
DOI: 10.1016/j.jlumin.2013.07.075

Magnetic ordering effects in the Raman spectra of ${La}_{1 - x} {Mn}_{1 - x} O_{3}$
journal, November 1999

Granado, E.; García, A.; Sanjurjo, J. A.
Physical Review B, Vol. 60, Issue 17
DOI: 10.1103/PhysRevB.60.11879

On the Absorption Spectra of Complex Ions, III The Calculation of the Crystalline Field Strength
journal, August 1956

Tanabe, Yukito; Sugano, Satoru
Journal of the Physical Society of Japan, Vol. 11, Issue 8
DOI: 10.1143/JPSJ.11.864

An ultrafast symmetry switch in a Weyl semimetal
journal, January 2019

Sie, Edbert J.; Nyby, Clara M.; Pemmaraju, C. D.
Nature, Vol. 565, Issue 7737
DOI: 10.1038/s41586-018-0809-4

Canted ferrimagnetism and giant coercivity in the nonstoichiometric double perovskite $L a_{2} N i_{1.19} O s_{0.81} O_{6}$
journal, May 2018

Feng, Hai L.; Reehuis, Manfred; Adler, Peter
Physical Review B, Vol. 97, Issue 18
DOI: 10.1103/PhysRevB.97.184407

Special points for Brillouin-zone integrations
journal, June 1976

Monkhorst, Hendrik J.; Pack, James D.
Physical Review B, Vol. 13, Issue 12, p. 5188-5192
DOI: 10.1103/PhysRevB.13.5188

Magnetic order in the frustrated Ising-like chain compound ${Sr}_{3} Ni Ir O_{6}$
journal, July 2014

Lefrançois, E.; Chapon, L. C.; Simonet, V.
Physical Review B, Vol. 90, Issue 1
DOI: 10.1103/PhysRevB.90.014408

Spin-forbidden electronic excitations in transition metal complexes
journal, October 1972

L. Lohr, Lawrence
Coordination Chemistry Reviews, Vol. 8, Issue 3
DOI: 10.1016/S0010-8545(00)80030-2

Vibronic coupling and band gap trends in ${CuGeO}_{3}$ nanorods
journal, August 2017

O'Neal, Kenneth R.; al-Wahish, Amal; Li, Zhaoqian
Physical Review B, Vol. 96, Issue 7
DOI: 10.1103/PhysRevB.96.075437

Crystal field splitting in ${Sr}_{n + 1} {Ir}_{n} O_{3 n + 1}$ $(n = 1, 2)$ iridates probed by x-ray Raman spectroscopy
journal, August 2014

Moretti Sala, M.; Rossi, M.; Al-Zein, A.
Physical Review B, Vol. 90, Issue 8
DOI: 10.1103/PhysRevB.90.085126

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
DOI: 10.1103/PhysRevB.54.11169

Impact of spin-orbit coupling on the magnetism of Sr3MIrO6 (M = Ni, Co)
journal, April 2014

Ou, Xuedong; Wu, Hua
Scientific Reports, Vol. 4, Issue 1
DOI: 10.1038/srep04609

Frustrated Ising chains on the triangular lattice in ${Sr}_{3} {NiIrO}_{6}$
journal, May 2016

Toth, S.; Wu, W.; Adroja, D. T.
Physical Review B, Vol. 93, Issue 17
DOI: 10.1103/PhysRevB.93.174422

Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces
journal, April 2008

Perdew, John P.; Ruzsinszky, Adrienn; Csonka, Gábor I.
Physical Review Letters, Vol. 100, Issue 13
DOI: 10.1103/PhysRevLett.100.136406

Geometrically frustrated magnetic behavior of ${Sr}_{3} {NiRhO}_{6}$ and ${Sr}_{3} {NiPtO}_{6}$
journal, June 2007

Mohapatra, Niharika; Iyer, Kartik K.; Rayaprol, Sudhindra
Physical Review B, Vol. 75, Issue 21
DOI: 10.1103/PhysRevB.75.214422

Correlation-driven metal-insulator transition in proximity to an iron-based superconductor
journal, November 2017

Charnukha, A.; Yin, Z. P.; Song, Y.
Physical Review B, Vol. 96, Issue 19
DOI: 10.1103/PhysRevB.96.195121

Charge-Orbital Density Wave and Superconductivity in the Strong Spin-Orbit Coupled ${IrTe}_{2} ∶ Pd$
journal, March 2012

Yang, J. J.; Choi, Y. J.; Oh, Y. S.
Physical Review Letters, Vol. 108, Issue 11
DOI: 10.1103/PhysRevLett.108.116402

Successive Magnetic-Field-Induced Transitions and Colossal Magnetoelectric Effect in ${Ni}_{3} {TeO}_{6}$
journal, September 2015

Kim, Jae Wook; Artyukhin, S.; Mun, E. D.
Physical Review Letters, Vol. 115, Issue 13
DOI: 10.1103/PhysRevLett.115.137201

Study of high-coercivity sintered NdFeB magnets
journal, January 2007

Bai, G.; Gao, R. W.; Sun, Y.
Journal of Magnetism and Magnetic Materials, Vol. 308, Issue 1
DOI: 10.1016/j.jmmm.2006.04.029

On the Absorption Spectra of Complex Ions. I
journal, September 1954

Tanabe, Yukito; Sugano, Satoru
Journal of the Physical Society of Japan, Vol. 9, Issue 5
DOI: 10.1143/JPSJ.9.753

Hysteretic Melting Transition of a Soliton Lattice in a Commensurate Charge Modulation
journal, December 2013

Hsu, Pin-Jui; Mauerer, Tobias; Vogt, Matthias
Physical Review Letters, Vol. 111, Issue 26
DOI: 10.1103/PhysRevLett.111.266401

On the relationship of high coercivity and L10 ordered phase in CoPt and FePt thin films
journal, October 1999

Ristau, R. A.; Barmak, K.; Lewis, L. H.
Journal of Applied Physics, Vol. 86, Issue 8
DOI: 10.1063/1.371397

Strong spin-lattice coupling in CrSiTe ₃
journal, April 2015

Casto, L. D.; Clune, A. J.; Yokosuk, M. O.
APL Materials, Vol. 3, Issue 4
DOI: 10.1063/1.4914134

Magnetic properties of ${Sr}_{3} {NiIrO}_{6}$ and ${Sr}_{3} {CoIrO}_{6}$ : Magnetic hysteresis with coercive fields of up to 55 T
journal, December 2016

Singleton, John; Kim, Jae Wook; Topping, Craig V.
Physical Review B, Vol. 94, Issue 22
DOI: 10.1103/PhysRevB.94.224408

Momentum-resolved electronic excitations in the Mott insulator ${Sr}_{2} {IrO}_{4}$ studied by resonant inelastic x-ray scattering
journal, March 2011

Ishii, K.; Jarrige, I.; Yoshida, M.
Physical Review B, Vol. 83, Issue 11
DOI: 10.1103/PhysRevB.83.115121

Magnetic properties and crystal structure of Sr $_{3}$ CoIrO $_{6}$ and Sr $_{3}$ NiIrO $_{6}$
journal, October 2012

Mikhailova, D.; Schwarz, B.; Senyshyn, A.
Physical Review B, Vol. 86, Issue 13
DOI: 10.1103/PhysRevB.86.134409

Magnetoelectric Coupling through the Spin Flop Transition in ${Ni}_{3} {TeO}_{6}$
journal, September 2016

Yokosuk, M. O.; al-Wahish, Amal; Artyukhin, Sergey
Physical Review Letters, Vol. 117, Issue 14
DOI: 10.1103/PhysRevLett.117.147402

Electrical Control of Structural and Physical Properties via Strong Spin-Orbit Interactions in ${Sr}_{2} {IrO}_{4}$
journal, January 2018

Cao, G.; Terzic, J.; Zhao, H. D.
Physical Review Letters, Vol. 120, Issue 1
DOI: 10.1103/PhysRevLett.120.017201

Partially-disordered to frozen-state crossover induced magnetocaloric properties of the antiferromagnetic one-dimensional spin-chain Sr ₃ CoIrO ₆
journal, February 2019

Krishna Murthy, J.; Nileena, N.; Vishnugopal, V. S.
Materials Research Express, Vol. 6, Issue 5
DOI: 10.1088/2053-1591/ab03a4

High-Temperature Ferrimagnetism with Large Coercivity and Exchange Bias in the Partially Ordered 3 d /5 d Hexagonal Perovskite Ba ₂ Fe _1.12 Os _0.88 O ₆
journal, January 2017

Feng, Hai L.; Adler, Peter; Reehuis, Manfred
Chemistry of Materials, Vol. 29, Issue 2
DOI: 10.1021/acs.chemmater.6b04983

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High-Pressure Synthesis of Lu₂NiIrO₆ with Ferrimagnetism and Large Coercivity

Journal Article Feng, Hai L. ; Deng, Zheng ; Wu, Meixia ; ... - Inorganic Chemistry

Double perovskite Lu₂NiIrO₆ was synthesized at high pressure (6 GPa) and high temperature (1300 °C). Synchrotron powder x-ray diffraction indicates that its structure is a monoclinic double perovskite (space group P2₁/n) with a small, 9 % Ni/Ir anti-site disorder. X-ray absorption near edge spectroscopy measurements established Ni²⁺ and Ir⁴⁺ formal oxidation states. Magnetic studies indicate a ferrimagnetic transition, TC at 210 K. The low-temperature magnetization curve of Lu₂NiIrO₆ features broad hysteresis with a coercive field as high as 48 kOe. These results are encouraging to search for hard magnets in the class of 3d-5d double perovskite oxides.
https://doi.org/10.1021/acs.inorgchem.8b02557

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journal, October 1996

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journal, February 2011

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journal, July 1995

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journal, March 2014

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journal, December 2012

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journal, April 2014

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journal, May 2019

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journal, July 2012

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journal, October 2003

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journal, October 2018

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journal, August 2018

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journal, June 1967

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journal, November 2015

Density-functional theory and strong interactions: Orbital ordering in Mott-Hubbard insulators
journal, August 1995

Magnetoelastic coupling in hexagonal multiferroic $Y Mn O_{3}$ using ultrasound measurements
journal, November 2007

Intrachain antiferromagnetic interaction and Mott state induced by spin-orbit coupling in Sr3NiIrO6
journal, May 2010

Partially Disordered Antiferromagnetic Phase in ${Ca}_{3} {CoRhO}_{6}$
journal, October 2001

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journal, February 2019

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journal, March 2009

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journal, June 2018

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journal, June 2016

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journal, October 2012

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journal, January 1980

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journal, March 2002

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journal, January 2012

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journal, March 2016

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journal, September 2008

Enhanced Rashba spin-orbit splitting in $Bi ∕ Ag (111)$ and $Pb ∕ Ag (111)$ surface alloys from first principles
journal, May 2007

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996

On the Absorption Spectra of Complex Ions II
journal, September 1954

Tracking the continuous spin-flop transition in ${Ni}_{3} {TeO}_{6}$ by infrared spectroscopy
journal, October 2015

Systematic analysis of spectroscopic characteristics of heavy transition metal ions with 4dN and 5dN (N=1…10) electronic configurations in a free state
journal, January 2014

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journal, November 1999

On the Absorption Spectra of Complex Ions, III The Calculation of the Crystalline Field Strength
journal, August 1956

An ultrafast symmetry switch in a Weyl semimetal
journal, January 2019

Canted ferrimagnetism and giant coercivity in the nonstoichiometric double perovskite $L a_{2} N i_{1.19} O s_{0.81} O_{6}$
journal, May 2018

Special points for Brillouin-zone integrations
journal, June 1976

Magnetic order in the frustrated Ising-like chain compound ${Sr}_{3} Ni Ir O_{6}$
journal, July 2014

Spin-forbidden electronic excitations in transition metal complexes
journal, October 1972

Vibronic coupling and band gap trends in ${CuGeO}_{3}$ nanorods
journal, August 2017

Crystal field splitting in ${Sr}_{n + 1} {Ir}_{n} O_{3 n + 1}$ $(n = 1, 2)$ iridates probed by x-ray Raman spectroscopy
journal, August 2014

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

Impact of spin-orbit coupling on the magnetism of Sr3MIrO6 (M = Ni, Co)
journal, April 2014

Frustrated Ising chains on the triangular lattice in ${Sr}_{3} {NiIrO}_{6}$
journal, May 2016

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journal, April 2008

Geometrically frustrated magnetic behavior of ${Sr}_{3} {NiRhO}_{6}$ and ${Sr}_{3} {NiPtO}_{6}$
journal, June 2007

Correlation-driven metal-insulator transition in proximity to an iron-based superconductor
journal, November 2017

Charge-Orbital Density Wave and Superconductivity in the Strong Spin-Orbit Coupled ${IrTe}_{2} ∶ Pd$
journal, March 2012

Successive Magnetic-Field-Induced Transitions and Colossal Magnetoelectric Effect in ${Ni}_{3} {TeO}_{6}$
journal, September 2015

Study of high-coercivity sintered NdFeB magnets
journal, January 2007

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journal, September 1954

Hysteretic Melting Transition of a Soliton Lattice in a Commensurate Charge Modulation
journal, December 2013

On the relationship of high coercivity and L10 ordered phase in CoPt and FePt thin films
journal, October 1999

Strong spin-lattice coupling in CrSiTe ₃
journal, April 2015

Magnetic properties of ${Sr}_{3} {NiIrO}_{6}$ and ${Sr}_{3} {CoIrO}_{6}$ : Magnetic hysteresis with coercive fields of up to 55 T
journal, December 2016

Momentum-resolved electronic excitations in the Mott insulator ${Sr}_{2} {IrO}_{4}$ studied by resonant inelastic x-ray scattering
journal, March 2011

Magnetic properties and crystal structure of Sr $_{3}$ CoIrO $_{6}$ and Sr $_{3}$ NiIrO $_{6}$
journal, October 2012

Magnetoelectric Coupling through the Spin Flop Transition in ${Ni}_{3} {TeO}_{6}$
journal, September 2016

Electrical Control of Structural and Physical Properties via Strong Spin-Orbit Interactions in ${Sr}_{2} {IrO}_{4}$
journal, January 2018

Partially-disordered to frozen-state crossover induced magnetocaloric properties of the antiferromagnetic one-dimensional spin-chain Sr ₃ CoIrO ₆
journal, February 2019

High-Temperature Ferrimagnetism with Large Coercivity and Exchange Bias in the Partially Ordered 3 d /5 d Hexagonal Perovskite Ba ₂ Fe _1.12 Os _0.88 O ₆
journal, January 2017