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

Journal Article · 21 August 2019 · npj Quantum Materials

DOI: https://doi.org/10.1038/s41535-019-0184-x · OSTI ID:1619757

^[1]; Paul, Arpita ^[2]; al-Wahish, Amal ^[3]; Hughey, Kendall D. ^[1]; Blockmon, Avery L. ^[1]; Luo, Xuan ^[4]; Cheong, Sang-Wook ^[5];

^[6]; Topping, Craig V. ^[7];

^[6];

^[8];

^[2];

^[1]

Univ. of Tennessee, Knoxville, TN (United States)
Univ. of Minnesota, Minneapolis, MN (United States)
Univ. of Tennessee, Knoxville, TN (United States); Univ. of Washington, Seattle, WA (United States); Seattle Univ., WA (United States)
Pohang Univ. of Science and Technology (POSTECH) (Korea, Republic of); Pohang Accelerator Lab. (PAL) (Korea, Republic of); Chinese Academy of Sciences (CAS), Hefei (China)
Pohang Univ. of Science and Technology (POSTECH) (Korea, Republic of); Pohang Accelerator Lab. (PAL) (Korea, Republic of); Rutgers Univ., Piscataway, NJ (United States)
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Univ. of St. Andrews, Scotland (United Kingdom)
Florida State Univ., Tallahassee, FL (United States). National High Magnetic Field Lab. (MagLab)

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.

View Journal Article

Cite

Export

Save

Research Organization:: Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)

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

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

OSTI ID:: 1619757

Alternate ID(s):: OSTI ID: 1558967; OSTI ID: 1859881

Report Number(s):: LA-UR-18-31654; LA-UR-19-26973; TRN: US2000266

Journal Information:: npj Quantum Materials, Vol. 4, Issue 1; ISSN 2397-4648

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

Citation Metrics:

Cited by: 7 works

Citation information provided by
Web of Science

References (72)

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
Crystal-Field Splitting and Correlation Effect on the Electronic Structure of A 2 IrO 3 Gretarsson, H.; Clancy, J. P.; Liu, X. Physical Review Letters, Vol. 110, Issue 7 https://doi.org/10.1103/PhysRevLett.110.076402	journal	February 2013
Enhanced magnetoelastic coupling in hexagonal multiferroic HoMnO 3 Poirier, Mario; Lemyre, Julien Camirand; Lahaie, Pierre-Olivier Physical Review B, Vol. 83, Issue 5 https://doi.org/10.1103/PhysRevB.83.054418	journal	February 2011
A Family of One-Dimensional Oxides: Sr3MlrO6 (M = Ni, Cu, Zn): Structure and Magnetic Properties Nguyen, T. N.; zur Loye, H. -C. Journal of Solid State Chemistry, Vol. 117, Issue 2 https://doi.org/10.1006/jssc.1995.1277	journal	July 1995
Correlated Quantum Phenomena in the Strong Spin-Orbit Regime Witczak-Krempa, William; Chen, Gang; Kim, Yong Baek Annual Review of Condensed Matter Physics, Vol. 5, Issue 1 https://doi.org/10.1146/annurev-conmatphys-020911-125138	journal	March 2014
Magnetoelastic coupling in [Ru 2 (O 2 CMe) 4 ] 3 [Cr(CN) 6 ] molecule-based magnet Brinzari, T. V.; Chen, P.; Tung, L. -C. Physical Review B, Vol. 86, Issue 21 https://doi.org/10.1103/PhysRevB.86.214411	journal	December 2012
Phonon-assisted optical excitation in the narrow bandgap Mott insulator Sr 3 Ir 2 O 7 Park, H. J.; Sohn, C. H.; Jeong, D. W. Physical Review B, Vol. 89, Issue 15 https://doi.org/10.1103/PhysRevB.89.155115	journal	April 2014
Superconductivity in WP single crystals Liu, Ziyi; Wu, Wei; Zhao, Zhenzheng Physical Review B, Vol. 99, Issue 18 https://doi.org/10.1103/PhysRevB.99.184509	journal	May 2019
Magnetostriction and magnetic texture to 100.75 Tesla in frustrated SrCu2(BO3)2 Jaime, M.; Daou, R.; Crooker, S. A. Proceedings of the National Academy of Sciences, Vol. 109, Issue 31 https://doi.org/10.1073/pnas.1200743109	journal	July 2012
A magnetic study of the one dimensional Sr $\mathsf{_{3}}$ NiIrO $\mathsf{_{6}}$ compound Flahaut, D.; H�bert, S.; Maignan, A. The European Physical Journal B - Condensed Matter, Vol. 35, Issue 3 https://doi.org/10.1140/epjb/e2003-00283-3	journal	October 2003
Pressure-driven collapse of the relativistic electronic ground state in a honeycomb iridate Clancy, J. Patrick; Gretarsson, Hlynur; Sears, Jennifer A. npj Quantum Materials, Vol. 3, Issue 1 https://doi.org/10.1038/s41535-018-0109-0	journal	August 2018
Optical Exciton-Magnon Absorption in Mn F 2 Sell, D. D.; Greene, R. L.; White, Robert M. Physical Review, Vol. 158, Issue 2 https://doi.org/10.1103/PhysRev.158.489	journal	June 1967
Rashba Spin–Orbit Coupling Enhanced Carrier Lifetime in CH ₃ NH ₃ PbI ₃ Zheng, Fan; Tan, Liang Z.; Liu, Shi Nano Letters, Vol. 15, Issue 12 https://doi.org/10.1021/acs.nanolett.5b01854	journal	November 2015
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
Magnetoelastic coupling in hexagonal multiferroic Y Mn O 3 using ultrasound measurements Poirier, Mario; Laliberté, Francis; Pinsard-Gaudart, Loreynne Physical Review B, Vol. 76, Issue 17 https://doi.org/10.1103/PhysRevB.76.174426	journal	November 2007
Intrachain antiferromagnetic interaction and Mott state induced by spin-orbit coupling in Sr3NiIrO6 Zhang, G. R.; Zhang, X. L.; Jia, T. Journal of Applied Physics, Vol. 107, Issue 9 https://doi.org/10.1063/1.3360339	journal	May 2010
Partially Disordered Antiferromagnetic Phase in Ca 3 CoRhO 6 Niitaka, S.; Yoshimura, K.; Kosuge, K. Physical Review Letters, Vol. 87, Issue 17 https://doi.org/10.1103/PhysRevLett.87.177202	journal	October 2001
Superconductivity in BaIrS i 2 : A 5 d electron system with a noncentrosymmetric crystal structure Isobe, Masaaki; Kimoto, Koji; Arai, Masao Physical Review B, Vol. 99, Issue 5 https://doi.org/10.1103/PhysRevB.99.054514	journal	February 2019
Phase-Sensitive Observation of a Spin-Orbital Mott State in Sr2IrO4 Kim, B. J.; Ohsumi, H.; Komesu, T. Science, Vol. 323, Issue 5919 https://doi.org/10.1126/science.1167106	journal	March 2009
Reduced electronic correlation effects in half substituted Ba(Fe _1−x Co _x ) ₂ As ₂ Liu, Z. -H.; Yaresko, A. N.; Li, Y. Applied Physics Letters, Vol. 112, Issue 23 https://doi.org/10.1063/1.5034488	journal	June 2018
Anisotropic interactions opposing magnetocrystalline anisotropy in Sr 3 NiIrO 6 Lefrançois, E.; Pradipto, A. -M.; Moretti Sala, M. Physical Review B, Vol. 93, Issue 22 https://doi.org/10.1103/PhysRevB.93.224401	journal	June 2016
Testing the Validity of the Strong Spin-Orbit-Coupling Limit for Octahedrally Coordinated Iridate Compounds in a Model System Sr 3 CuIrO 6 Liu, X.; Katukuri, Vamshi M.; Hozoi, L. Physical Review Letters, Vol. 109, Issue 15 https://doi.org/10.1103/PhysRevLett.109.157401	journal	October 2012
Optical absorption spectrum of hematite, αFe2O3 near IR to UV Marusak, L. A.; Messier, R.; White, William B. Journal of Physics and Chemistry of Solids, Vol. 41, Issue 9 https://doi.org/10.1016/0022-3697(80)90105-5	journal	January 1980
Sr3NiRhO6 and Sr3CuRhO6—Two New One-Dimensional Oxides. Magnetic Behavior as a Function of Structure: Commensurate vs Incommensurate Stitzer, K. E.; Henley, W. H.; Claridge, J. B. Journal of Solid State Chemistry, Vol. 164, Issue 2 https://doi.org/10.1006/jssc.2001.9463	journal	March 2002
Topological phase transitions between chiral and helical spin textures in a lattice with spin-orbit coupling and a magnetic field Goldman, N.; Beugeling, W.; Morais Smith, C. EPL (Europhysics Letters), Vol. 97, Issue 2 https://doi.org/10.1209/0295-5075/97/23003	journal	January 2012
Spin-Orbit Physics Giving Rise to Novel Phases in Correlated Systems: Iridates and Related Materials Rau, Jeffrey G.; Lee, Eric Kin-Ho; Kee, Hae-Young Annual Review of Condensed Matter Physics, Vol. 7, Issue 1 https://doi.org/10.1146/annurev-conmatphys-031115-011319	journal	March 2016
Formation of Pancakelike Ising Domains and Giant Magnetic Coercivity in Ferrimagnetic LuFe 2 O 4 Wu, Weida; Kiryukhin, V.; Noh, H. -J. Physical Review Letters, Vol. 101, Issue 13 https://doi.org/10.1103/PhysRevLett.101.137203	journal	September 2008
Enhanced Rashba spin-orbit splitting in Bi ∕ Ag ( 111 ) and Pb ∕ Ag ( 111 ) surface alloys from first principles Bihlmayer, G.; Blügel, S.; Chulkov, E. V. Physical Review B, Vol. 75, Issue 19 https://doi.org/10.1103/PhysRevB.75.195414	journal	May 2007
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set Kresse, G.; Furthmüller, J. Computational Materials Science, Vol. 6, Issue 1, p. 15-50 https://doi.org/10.1016/0927-0256(96)00008-0	journal	July 1996
On the Absorption Spectra of Complex Ions II Tanabe, Yukito; Sugano, Satoru Journal of the Physical Society of Japan, Vol. 9, Issue 5 https://doi.org/10.1143/JPSJ.9.766	journal	September 1954
Tracking the continuous spin-flop transition in Ni 3 TeO 6 by infrared spectroscopy Yokosuk, Michael O.; Artyukhin, Sergey; al-Wahish, Amal Physical Review B, Vol. 92, Issue 14 https://doi.org/10.1103/PhysRevB.92.144305	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 Ma, C. -G.; Brik, M. G. Journal of Luminescence, Vol. 145 https://doi.org/10.1016/j.jlumin.2013.07.075	journal	January 2014
Magnetic ordering effects in the Raman spectra of La 1 − x Mn 1 − x O 3 Granado, E.; García, A.; Sanjurjo, J. A. Physical Review B, Vol. 60, Issue 17 https://doi.org/10.1103/PhysRevB.60.11879	journal	November 1999
An ultrafast symmetry switch in a Weyl semimetal Sie, Edbert J.; Nyby, Clara M.; Pemmaraju, C. D. Nature, Vol. 565, Issue 7737 https://doi.org/10.1038/s41586-018-0809-4	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 Feng, Hai L.; Reehuis, Manfred; Adler, Peter Physical Review B, Vol. 97, Issue 18 https://doi.org/10.1103/PhysRevB.97.184407	journal	May 2018
Special points for Brillouin-zone integrations Monkhorst, Hendrik J.; Pack, James D. Physical Review B, Vol. 13, Issue 12, p. 5188-5192 https://doi.org/10.1103/PhysRevB.13.5188	journal	June 1976
Magnetic order in the frustrated Ising-like chain compound Sr 3 Ni Ir O 6 Lefrançois, E.; Chapon, L. C.; Simonet, V. Physical Review B, Vol. 90, Issue 1 https://doi.org/10.1103/PhysRevB.90.014408	journal	July 2014
Spin-forbidden electronic excitations in transition metal complexes L. Lohr, Lawrence Coordination Chemistry Reviews, Vol. 8, Issue 3 https://doi.org/10.1016/S0010-8545(00)80030-2	journal	October 1972
Vibronic coupling and band gap trends in CuGeO 3 nanorods O'Neal, Kenneth R.; al-Wahish, Amal; Li, Zhaoqian Physical Review B, Vol. 96, Issue 7 https://doi.org/10.1103/PhysRevB.96.075437	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 Moretti Sala, M.; Rossi, M.; Al-Zein, A. Physical Review B, Vol. 90, Issue 8 https://doi.org/10.1103/PhysRevB.90.085126	journal	August 2014
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
Impact of spin-orbit coupling on the magnetism of Sr3MIrO6 (M = Ni, Co) Ou, Xuedong; Wu, Hua Scientific Reports, Vol. 4, Issue 1 https://doi.org/10.1038/srep04609	journal	April 2014
Frustrated Ising chains on the triangular lattice in Sr 3 NiIrO 6 Toth, S.; Wu, W.; Adroja, D. T. Physical Review B, Vol. 93, Issue 17 https://doi.org/10.1103/PhysRevB.93.174422	journal	May 2016
Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces Perdew, John P.; Ruzsinszky, Adrienn; Csonka, Gábor I. Physical Review Letters, Vol. 100, Issue 13 https://doi.org/10.1103/PhysRevLett.100.136406	journal	April 2008
Geometrically frustrated magnetic behavior of Sr 3 NiRhO 6 and Sr 3 NiPtO 6 Mohapatra, Niharika; Iyer, Kartik K.; Rayaprol, Sudhindra Physical Review B, Vol. 75, Issue 21 https://doi.org/10.1103/PhysRevB.75.214422	journal	June 2007
Correlation-driven metal-insulator transition in proximity to an iron-based superconductor Charnukha, A.; Yin, Z. P.; Song, Y. Physical Review B, Vol. 96, Issue 19 https://doi.org/10.1103/PhysRevB.96.195121	journal	November 2017
Charge-Orbital Density Wave and Superconductivity in the Strong Spin-Orbit Coupled IrTe 2 ∶ Pd Yang, J. J.; Choi, Y. J.; Oh, Y. S. Physical Review Letters, Vol. 108, Issue 11 https://doi.org/10.1103/PhysRevLett.108.116402	journal	March 2012
Successive Magnetic-Field-Induced Transitions and Colossal Magnetoelectric Effect in Ni 3 TeO 6 Kim, Jae Wook; Artyukhin, S.; Mun, E. D. Physical Review Letters, Vol. 115, Issue 13 https://doi.org/10.1103/PhysRevLett.115.137201	journal	September 2015
Study of high-coercivity sintered NdFeB magnets Bai, G.; Gao, R. W.; Sun, Y. Journal of Magnetism and Magnetic Materials, Vol. 308, Issue 1 https://doi.org/10.1016/j.jmmm.2006.04.029	journal	January 2007
On the Absorption Spectra of Complex Ions. I Tanabe, Yukito; Sugano, Satoru Journal of the Physical Society of Japan, Vol. 9, Issue 5 https://doi.org/10.1143/JPSJ.9.753	journal	September 1954
Hysteretic Melting Transition of a Soliton Lattice in a Commensurate Charge Modulation Hsu, Pin-Jui; Mauerer, Tobias; Vogt, Matthias Physical Review Letters, Vol. 111, Issue 26 https://doi.org/10.1103/PhysRevLett.111.266401	journal	December 2013
On the relationship of high coercivity and L10 ordered phase in CoPt and FePt thin films Ristau, R. A.; Barmak, K.; Lewis, L. H. Journal of Applied Physics, Vol. 86, Issue 8 https://doi.org/10.1063/1.371397	journal	October 1999
Strong spin-lattice coupling in CrSiTe ₃ Casto, L. D.; Clune, A. J.; Yokosuk, M. O. APL Materials, Vol. 3, Issue 4 https://doi.org/10.1063/1.4914134	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 Singleton, John; Kim, Jae Wook; Topping, Craig V. Physical Review B, Vol. 94, Issue 22 https://doi.org/10.1103/PhysRevB.94.224408	journal	December 2016
Momentum-resolved electronic excitations in the Mott insulator Sr 2 IrO 4 studied by resonant inelastic x-ray scattering Ishii, K.; Jarrige, I.; Yoshida, M. Physical Review B, Vol. 83, Issue 11 https://doi.org/10.1103/PhysRevB.83.115121	journal	March 2011
Magnetic properties and crystal structure of Sr 3 CoIrO 6 and Sr 3 NiIrO 6 Mikhailova, D.; Schwarz, B.; Senyshyn, A. Physical Review B, Vol. 86, Issue 13 https://doi.org/10.1103/PhysRevB.86.134409	journal	October 2012
Magnetoelectric Coupling through the Spin Flop Transition in Ni 3 TeO 6 Yokosuk, M. O.; al-Wahish, Amal; Artyukhin, Sergey Physical Review Letters, Vol. 117, Issue 14 https://doi.org/10.1103/PhysRevLett.117.147402	journal	September 2016
Electrical Control of Structural and Physical Properties via Strong Spin-Orbit Interactions in Sr 2 IrO 4 Cao, G.; Terzic, J.; Zhao, H. D. Physical Review Letters, Vol. 120, Issue 1 https://doi.org/10.1103/PhysRevLett.120.017201	journal	January 2018
Partially-disordered to frozen-state crossover induced magnetocaloric properties of the antiferromagnetic one-dimensional spin-chain Sr ₃ CoIrO ₆ Krishna Murthy, J.; Nileena, N.; Vishnugopal, V. S. Materials Research Express, Vol. 6, Issue 5 https://doi.org/10.1088/2053-1591/ab03a4	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 Feng, Hai L.; Adler, Peter; Reehuis, Manfred Chemistry of Materials, Vol. 29, Issue 2 https://doi.org/10.1021/acs.chemmater.6b04983	journal	January 2017
Optical absorption spectrum of hematite, αFe2O3 near IR to UV Marusak, L. A.; Messier, R.; White, William B. Solid State Communications, Vol. 34, Issue 12 https://doi.org/10.1016/0038-1098(80)91129-1	journal	June 1980
High-resolution X-ray luminescence extension imaging Ou, Xiangyu; Qin, Xian; Huang, Bolong Nature, Vol. 590, Issue 7846 https://doi.org/10.1038/s41586-021-03251-6	journal	February 2021
Correlated quantum phenomena in the strong spin-orbit regime Witczak-Krempa, William; Chen, Gang; Kim, Yong Baek arXiv https://doi.org/10.48550/arxiv.1305.2193	text	January 2013
Impact of spin-orbit coupling on the magnetism of Sr3MIrO6 (M = Ni, Co) Ou, Xuedong; Wu, Hua arXiv https://doi.org/10.48550/arxiv.1312.7411	text	January 2013
Spin-Orbit Physics Giving Rise to Novel Phases in Correlated Systems: Iridates and Related Materials Rau, Jeffrey G.; Lee, Eric Kin-Ho; Kee, Hae-Young arXiv https://doi.org/10.48550/arxiv.1507.06323	text	January 2015
Canted ferrimagnetism and giant coercivity in the non-stoichiometric double perovskite La2Ni1.19Os0.81O6 Feng, Hai L.; Reehuis, Manfred; Adler, Peter arXiv https://doi.org/10.48550/arxiv.1802.03874	text	January 2018
Pressure-driven collapse of the relativistic electronic ground state in a honeycomb iridate Clancy, J. P.; Gretarsson, H.; Sears, J. A. arXiv https://doi.org/10.48550/arxiv.1803.04056	text	January 2018
Nature of the Magnetic Interactions in Sr$_3$NiIrO$_6$ Birol, Turan; Haule, Kristjan; Vanderbilt, David arXiv https://doi.org/10.48550/arxiv.1805.03733	text	January 2018
Nature of the magnetic interactions in Sr 3 NiIrO 6 Birol, Turan; Haule, Kristjan; Vanderbilt, David Physical Review B, Vol. 98, Issue 13 https://doi.org/10.1103/physrevb.98.134432	journal	October 2018
On the Absorption Spectra of Complex Ions, III The Calculation of the Crystalline Field Strength Tanabe, Yukito; Sugano, Satoru Journal of the Physical Society of Japan, Vol. 11, Issue 8 https://doi.org/10.1143/jpsj.11.864	journal	August 1956
Partially Disordered Antiferromagnetic Phase in Ca3CoRhO6 Kakurai, K.; Kosuge, K.; Niitaka, S. The American Physical Society https://doi.org/10.17877/de290r-11325	text	January 2001
Topological phase transitions between chiral and helical spin textures in a lattice with spin-orbit coupling and a magnetic field Goldman, N.; Beugeling, W.; Smith, C. Morais arXiv https://doi.org/10.48550/arxiv.1104.0643	text	January 2011

Similar Records

Relationship between A-site cation and magnetic structure in 3d–5d–4f double perovskite iridates Ln₂NiIrO₆ (Ln = La, Pr, Nd)

Journal Article · 2021 · Physical Review Materials · OSTI ID:1817544

Ferreira, Tim; Calder, Stuart; Parker, David S.; +3 more

Spin orientations of the spin-half Ir⁴⁺ ions in Sr₃NiIrO₆, Sr₂IrO₄ and Na₂IrO₃: Density functional, perturbation theory and Madelung potential analyses

Journal Article · 2016 · Journal of Chemical Physics · OSTI ID:1240021

Gordon, Elijah E.; Xiang, Hongjun; Koehler, Jurgen; +1 more

Spin orientations of the spin-half Ir{sup 4+} ions in Sr{sub 3}NiIrO{sub 6}, Sr{sub 2}IrO{sub 4}, and Na{sub 2}IrO{sub 3}: Density functional, perturbation theory, and Madelung potential analyses

Journal Article · 2016 · Journal of Chemical Physics · OSTI ID:22660822

Gordon, Elijah E.; Whangbo, Myung-Hwan; Xiang, Hongjun; +1 more

Related Subjects

36 MATERIALS SCIENCE
High Magnetic Field Science

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

Citation Formats

References (72)

Similar Records

Related Subjects

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