Competing stripe and magnetic phases in the cuprates from first principles

Zhang, Yubo; Lane, Christopher; Furness, James W.; Barbiellini, Bernardo; Perdew, John P.; Markiewicz, Robert S.; Bansil, Arun; Sun, Jianwei

doi:10.1073/pnas.1910411116

Title: Competing stripe and magnetic phases in the cuprates from first principles

Journal Article · 16 December 2019 · Proceedings of the National Academy of Sciences of the United States of America

DOI: https://doi.org/10.1073/pnas.1910411116 · OSTI ID:1579572

Zhang, Yubo ^[1];

^[2]; Furness, James W. ^[1];

^[3]; Perdew, John P. ^[4]; Markiewicz, Robert S. ^[2]; Bansil, Arun ^[2]; Sun, Jianwei ^[1]

Tulane Univ., New Orleans, LA (United States)
Northeastern Univ., Boston, MA (United States)
Northeastern Univ., Boston, MA (United States); LUT Univ. (Finland)
Temple Univ., Philadelphia, PA (United States)

Realistic description of competing phases in complex quantum materials has proven extremely challenging. For example, much of the existing density-functional-theory-based first-principles framework fails in the cuprate superconductors. Various many-body approaches involve generic model Hamiltonians and do not account for the interplay between the spin, charge, and lattice degrees of freedom. Here, by deploying the recently constructed strongly constrained and appropriately normed (SCAN) density functional, we show how the landscape of competing stripe and magnetic phases can be addressed on a first-principles basis both in the parent insulator YBa₂Cu₃O₆and the near-optimally doped YBa₂Cu₃O₇as archetype cuprate compounds. In YBa₂Cu₃O₇, we find many stripe phases that are nearly degenerate with the ground state and may give rise to the pseudogap state from which the high-temperature superconducting state emerges. We invoke no free parameters such as the HubbardU, which has been the basis of much of the existing cuprate literature. Lattice degrees of freedom are found to be crucially important in stabilizing the various phases.

View Journal Article

Cite

Export

Save

Research Organization:: Energy Frontier Research Centers (EFRC) (United States). Center for Complex Materials from First Principles (CCM); Tulane Univ., New Orleans, LA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC0019350; SC0012575; AC02-05CH11231; FG02-07ER46352

OSTI ID:: 1579572

Alternate ID(s):: OSTI ID: 1598446; OSTI ID: 1737445

Journal Information:: Proceedings of the National Academy of Sciences of the United States of America, Vol. 117, Issue 1; ISSN 0027-8424

Publisher:: National Academy of SciencesCopyright Statement

Country of Publication:: United States

Language:: English

Citation Metrics:

Cited by: 47 works

Citation information provided by
Web of Science

References (83)

Charge fluctuations in YBa2Cu3O7-x high-temperature superconductors Mook, H. A.; Doğan, F. Nature, Vol. 401, Issue 6749 https://doi.org/10.1038/43629	journal	September 1999
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
Effect of electron correlation on the electronic structure and spin-lattice coupling of high- T c cuprates: Quantum Monte Carlo calculations Wagner, Lucas K.; Abbamonte, Peter Physical Review B, Vol. 90, Issue 12 https://doi.org/10.1103/PhysRevB.90.125129	journal	September 2014
Comparative first-principles studies of prototypical ferroelectric materials by LDA, GGA, and SCAN meta-GGA Zhang, Yubo; Sun, Jianwei; Perdew, John P. arXiv https://doi.org/10.48550/arxiv.1702.04817	text	January 2017
Strongly Constrained and Appropriately Normed Semilocal Density Functional Sun, Jianwei; Ruzsinszky, Adrienn; Perdew, John P. arXiv https://doi.org/10.48550/arxiv.1504.03028	preprint	January 2015
Topological Defects Coupling Smectic Modulations to Intra-Unit-Cell Nematicity in Cuprates Mesaros, A.; Fujita, K.; Eisaki, H. Science, Vol. 333, Issue 6041 https://doi.org/10.1126/science.1201082	journal	July 2011
Effect of magnetic frustration on nematicity and superconductivity in iron chalcogenides Glasbrenner, J. K.; Mazin, I. I.; Jeschke, Harald O. Nature Physics, Vol. 11, Issue 11 https://doi.org/10.1038/nphys3434	journal	August 2015
A grid-based Bader analysis algorithm without lattice bias Tang, W.; Sanville, E.; Henkelman, G. Journal of Physics: Condensed Matter, Vol. 21, Issue 8 https://doi.org/10.1088/0953-8984/21/8/084204	journal	January 2009
A Four Unit Cell Periodic Pattern of Quasi-Particle States Surrounding Vortex Cores in Bi2Sr2CaCu2O8+delta Hoffman, J. E. Science, Vol. 295, Issue 5554 https://doi.org/10.1126/science.1066974	journal	January 2002
Accuracy of first-principles interatomic interactions and predictions of ferroelectric phase transitions in perovskite oxides: Energy functional and effective Hamiltonian Paul, Arpita; Sun, Jianwei; Perdew, John P. Physical Review B, Vol. 95, Issue 5 https://doi.org/10.1103/PhysRevB.95.054111	journal	February 2017
Classification of charge density waves based on their nature Zhu, Xuetao; Cao, Yanwei; Zhang, Jiandi Proceedings of the National Academy of Sciences, Vol. 112, Issue 8 https://doi.org/10.1073/pnas.1424791112	journal	February 2015
From ultrasoft pseudopotentials to the projector augmented-wave method Kresse, G.; Joubert, D. Physical Review B, Vol. 59, Issue 3, p. 1758-1775 https://doi.org/10.1103/PhysRevB.59.1758	journal	January 1999
Fluctuating stripes at the onset of the pseudogap in the high-Tc superconductor Bi2Sr2CaCu2O8+x Parker, Colin V.; Aynajian, Pegor; da Silva Neto, Eduardo H. Nature, Vol. 468, Issue 7324 https://doi.org/10.1038/nature09597	journal	December 2010
Optical model-solution to the competition between a pseudogap phase and a Mott-gap phase in high-temperature cuprate superconductors Das, Tanmoy; Markiewicz, R. S.; Bansil, A. arXiv https://doi.org/10.48550/arxiv.1002.4188	text	January 2010
Antiferromagnetic spin correlations in insulating, metallic, and superconducting La 2 − x Sr x Cu O 4 Birgeneau, R. J.; Gabbe, D. R.; Jenssen, H. P. Physical Review B, Vol. 38, Issue 10 https://doi.org/10.1103/PhysRevB.38.6614	journal	October 1988
Understanding band gaps of solids in generalized Kohn–Sham theory Perdew, John P.; Yang, Weitao; Burke, Kieron Proceedings of the National Academy of Sciences, Vol. 114, Issue 11 https://doi.org/10.1073/pnas.1621352114	journal	March 2017
Evidence for high temperature antiferromagnetic ordering in YBa2Cu3O6 Rossat-Mignod, J.; Burlet, P.; Jurgens, M. J. G. M. Physica C: Superconductivity, Vol. 152, Issue 1 https://doi.org/10.1016/0921-4534(88)90069-X	journal	March 1988
Neutron-Diffraction Determination of Antiferromagnetic Structure of Cu Ions in Y Ba 2 Cu 3 O 6 + x with x = 0.0 and 0.15 Tranquada, J. M.; Cox, D. E.; Kunnmann, W. Physical Review Letters, Vol. 60, Issue 2 https://doi.org/10.1103/PhysRevLett.60.156	journal	January 1988
An accurate first-principles treatment of doping-dependent electronic structure of high-temperature cuprate superconductors Furness, James W.; Zhang, Yubo; Lane, Christopher Communications Physics, Vol. 1, Issue 1 https://doi.org/10.1038/s42005-018-0009-4	journal	March 2018
Neutron-scattering study of antiferromagnetism in YBa 2 Cu 3 O 6.15 Shamoto, S.; Sato, M.; Tranquada, J. M. Physical Review B, Vol. 48, Issue 18 https://doi.org/10.1103/PhysRevB.48.13817	journal	November 1993
Charge and Spin Structure in YBa 2 Cu 3 O 6.35 Mook, H. A.; Dai, Pengcheng; Doğan, F. Physical Review Letters, Vol. 88, Issue 9 https://doi.org/10.1103/PhysRevLett.88.097004	journal	February 2002
Visualizing the atomic scale electronic structure of the Ca2CuO2Cl2 Mott insulator Ye, Cun; Cai, Peng; Yu, Runze arXiv https://doi.org/10.48550/arxiv.1201.0342	text	January 2012
Accurate first-principles structures and energies of diversely bonded systems from an efficient density functional Sun, Jianwei; Remsing, Richard C.; Zhang, Yubo Nature Chemistry, Vol. 8, Issue 9 https://doi.org/10.1038/nchem.2535	journal	June 2016
Photoemission perspective on pseudogap, superconducting fluctuations, and charge order in cuprates: a review of recent progress Vishik, I. M. Reports on Progress in Physics, Vol. 81, Issue 6 https://doi.org/10.1088/1361-6633/aaba96	journal	April 2018
Perspective on the phase diagram of cuprate high-temperature superconductors Rybicki, Damian; Jurkutat, Michael; Reichardt, Steven Nature Communications, Vol. 7, Issue 1 https://doi.org/10.1038/ncomms11413	journal	May 2016
Intense paramagnon excitations in a large family of high-temperature superconductors Tacon, M. Le; Ghiringhelli, G.; Chaloupka, J. arXiv https://doi.org/10.48550/arxiv.1106.2641	text	January 2011
Intertwined vestigial order in quantum materials: nematicity and beyond Fernandes, Rafael M.; Orth, Peter P.; Schmalian, Jörg arXiv https://doi.org/10.48550/arxiv.1804.00818	text	January 2018
Optical model-solution to the competition between a pseudogap phase and a charge-transfer-gap phase in high-temperature cuprate superconductors Das, Tanmoy; Markiewicz, R. S.; Bansil, A. Physical Review B, Vol. 81, Issue 17 https://doi.org/10.1103/PhysRevB.81.174504	journal	May 2010
Antiferromagnetic ground state of La 2 CuO 4 : A parameter-free ab initio description Lane, Christopher; Furness, James W.; Buda, Ioana Gianina Physical Review B, Vol. 98, Issue 12 https://doi.org/10.1103/PhysRevB.98.125140	journal	September 2018
A Four-Unit-Cell Periodic Pattern of Quasiparticle States Surrounding Vortex Cores in Bi2Sr2CaCu2O8+d Hoffman, J. E.; Hudson, E. W.; Lang, K. M. arXiv https://doi.org/10.48550/arxiv.cond-mat/0201348	text	January 2002
Stripe order in the underdoped region of the two-dimensional Hubbard model Zheng, Bo-Xiao; Chung, Chia-Min; Corboz, Philippe Science, Vol. 358, Issue 6367 https://doi.org/10.1126/science.aam7127	journal	November 2017
Density Matrix Renormalization Group Study of the Striped Phase in the 2D t − J Model White, Steven R.; Scalapino, D. J. Physical Review Letters, Vol. 80, Issue 6 https://doi.org/10.1103/PhysRevLett.80.1272	journal	February 1998
Anomalous transfer of spectral weight in doped strongly correlated systems Eskes, H.; Meinders, M. B. J.; Sawatzky, G. A. Physical Review Letters, Vol. 67, Issue 8 https://doi.org/10.1103/PhysRevLett.67.1035	journal	August 1991
Ab initio theory and modeling of water Chen, Mohan; Ko, Hsin-Yu; Remsing, Richard C. arXiv https://doi.org/10.48550/arxiv.1709.10493	text	January 2017
Evidence for stripe correlations of spins and holes in copper oxide superconductors Tranquada, J. M.; Sternlieb, B. J.; Axe, J. D. Nature, Vol. 375, Issue 6532 https://doi.org/10.1038/375561a0	journal	June 1995
Microscopic model of charge-density waves in 2 H − Ta Se 2 McMillan, W. L. Physical Review B, Vol. 16, Issue 2 https://doi.org/10.1103/PhysRevB.16.643	journal	July 1977
Ab initio theory and modeling of water Chen, Mohan; Ko, Hsin-Yu; Remsing, Richard C. Proceedings of the National Academy of Sciences, Vol. 114, Issue 41 https://doi.org/10.1073/pnas.1712499114	journal	September 2017
Efficient first-principles prediction of solid stability: Towards chemical accuracy Zhang, Yubo; Kitchaev, Daniil A.; Yang, Julia npj Computational Materials, Vol. 4, Issue 1 https://doi.org/10.1038/s41524-018-0065-z	journal	March 2018
ANTIFERROMAGNETIC ORDERING AND PHASE DIAGRAM OF YBa ₂ Cu ₃ O _6+x Rossat-Mignod, J.; Burlet, P.; Jurgens, M. J. Le Journal de Physique Colloques, Vol. 49, Issue C8 https://doi.org/10.1051/jphyscol:19888951	journal	December 1988
Square Lattice Iridates Bertinshaw, Joel; Kim, Y. K.; Khaliullin, Giniyat Annual Review of Condensed Matter Physics, Vol. 10, Issue 1 https://doi.org/10.1146/annurev-conmatphys-031218-013113	journal	March 2019
Comparative first-principles studies of prototypical ferroelectric materials by LDA, GGA, and SCAN meta-GGA Zhang, Yubo; Sun, Jianwei; Perdew, John P. Physical Review B, Vol. 96, Issue 3 https://doi.org/10.1103/PhysRevB.96.035143	journal	July 2017
Colloquium : Theory of intertwined orders in high temperature superconductors Fradkin, Eduardo; Kivelson, Steven A.; Tranquada, John M. Reviews of Modern Physics, Vol. 87, Issue 2 https://doi.org/10.1103/RevModPhys.87.457	journal	May 2015
DFT + U study of magnetic order in doped La 2 CuO 4 crystals Pesant, Simon; Côté, Michel Physical Review B, Vol. 84, Issue 8 https://doi.org/10.1103/PhysRevB.84.085104	journal	August 2011
Properties of real metallic surfaces: Effects of density functional semilocality and van der Waals nonlocality Patra, Abhirup; Bates, Jefferson E.; Sun, Jianwei Proceedings of the National Academy of Sciences, Vol. 114, Issue 44 https://doi.org/10.1073/pnas.1713320114	journal	October 2017
Influence of spacer groups on grafting ability, curing ability, and film properties of water-based radiation curable latexes Odeberg, Johan; Rassing, J�rgen; J�nsson, Jan-Erik Journal of Applied Polymer Science, Vol. 70, Issue 5 https://doi.org/10.1002/(SICI)1097-4628(19981031)70:5<897::AID-APP9>3.0.CO;2-O	journal	October 1998
Phase competition in trisected superconducting dome Vishik, I. M.; Hashimoto, M.; He, R. -H. arXiv https://doi.org/10.48550/arxiv.1209.6514	text	January 2012
Ground state of doped cuprates from first-principles quantum Monte Carlo calculations Wagner, Lucas K. Physical Review B, Vol. 92, Issue 16 https://doi.org/10.1103/PhysRevB.92.161116	journal	October 2015
Visualizing the atomic-scale electronic structure of the Ca2CuO2Cl2 Mott insulator Ye, Cun; Cai, Peng; Yu, Runze Nature Communications, Vol. 4, Issue 1 https://doi.org/10.1038/ncomms2369	journal	January 2013
Antiferromagnetic band structure of La 2 CuO 4 : Becke-3–Lee-Yang-Parr calculations Perry, Jason K.; Tahir-Kheli, Jamil; Goddard, William A. Physical Review B, Vol. 63, Issue 14 https://doi.org/10.1103/PhysRevB.63.144510	journal	March 2001
Electronic structure of AlFeN films exhibiting crystallographic orientation change from c- to a-axis with Fe concentrations and annealing effect Tatemizo, Nobuyuki; Imada, Saki; Okahara, Kizuna Scientific Reports, Vol. 10, Issue 1 https://doi.org/10.1038/s41598-020-58835-5	journal	February 2020
Observation of Antiferromagnetic Nuclear Resonance of Cu in YBa ₂ Cu ₃ O ₆ Yasuoka, Hiroshi; Shimizu, Tadashi; Ueda, Yutaka Journal of the Physical Society of Japan, Vol. 57, Issue 8 https://doi.org/10.1143/JPSJ.57.2659	journal	August 1988
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
Resonant X-Ray Scattering Studies of Charge Order in Cuprates Comin, Riccardo; Damascelli, Andrea Annual Review of Condensed Matter Physics, Vol. 7, Issue 1 https://doi.org/10.1146/annurev-conmatphys-031115-011401	journal	March 2016
Topological Defects Coupling Smectic Modulations to Intra-unit-cell Nematicity in Cuprate Mesaros, A.; Fujita, K.; Eisaki, H. arXiv https://doi.org/10.48550/arxiv.1108.0487	text	January 2011
Numerical evidence of fluctuating stripes in the normal state of high- T _c cuprate superconductors Huang, Edwin W.; Mendl, Christian B.; Liu, Shenxiu Science, Vol. 358, Issue 6367 https://doi.org/10.1126/science.aak9546	journal	November 2017
Optical spectra of La 2 − x Sr x CuO 4 : Effect of carrier doping on the electronic structure of the CuO 2 plane Uchida, S.; Ido, T.; Takagi, H. Physical Review B, Vol. 43, Issue 10 https://doi.org/10.1103/PhysRevB.43.7942	journal	April 1991
Symmetry of charge order in cuprates Comin, R.; Sutarto, R.; He, F. Nature Materials, Vol. 14, Issue 8 https://doi.org/10.1038/nmat4295	journal	May 2015
Intense paramagnon excitations in a large family of high-temperature superconductors Le Tacon, M.; Ghiringhelli, G.; Chaloupka, J. Nature Physics, Vol. 7, Issue 9 https://doi.org/10.1038/nphys2041	journal	July 2011
Nonlocal interactions in doped cuprates: Correlated motion of Zhang-Rice polarons Hozoi, L.; Nishimoto, S.; Kalosakas, G. Physical Review B, Vol. 75, Issue 2 https://doi.org/10.1103/PhysRevB.75.024517	journal	January 2007
Charge stripes seen with X-rays in Niemöller, T.; Ichikawa, N.; Frello, T. The European Physical Journal B, Vol. 12, Issue 4 https://doi.org/10.1007/s100510051032	journal	December 1999
In-plane magnetic anisotropy in antiferromagnetic YBa2Cu3O6+x Burlet, P.; Henry, J. Y.; Regnault, L. P. Physica C: Superconductivity, Vol. 296, Issue 3-4 https://doi.org/10.1016/S0921-4534(97)01836-4	journal	February 1998
Antiferromagnetic domains in YBa 2 Cu 3 O 6 + x probed by Gd 3 + ESR Jánossy, A.; Simon, F.; Fehér, T. Physical Review B, Vol. 59, Issue 2 https://doi.org/10.1103/PhysRevB.59.1176	journal	January 1999
Planar Cu and O hole densities in high- T c cuprates determined with NMR Haase, J.; Sushkov, O. P.; Horsch, P. Physical Review B, Vol. 69, Issue 9 https://doi.org/10.1103/PhysRevB.69.094504	journal	March 2004
Phase competition in trisected superconducting dome Vishik, I. M.; Hashimoto, M.; He, R. -H. Proceedings of the National Academy of Sciences, Vol. 109, Issue 45 https://doi.org/10.1073/pnas.1209471109	journal	October 2012
Strong charge fluctuations manifested in the high-temperature Hall coefficient of high- T c cuprates Ono, S.; Komiya, Seiki; Ando, Yoichi Physical Review B, Vol. 75, Issue 2 https://doi.org/10.1103/PhysRevB.75.024515	journal	January 2007
Intertwined Vestigial Order in Quantum Materials: Nematicity and Beyond Fernandes, Rafael M.; Orth, Peter P.; Schmalian, Jörg Annual Review of Condensed Matter Physics, Vol. 10, Issue 1 https://doi.org/10.1146/annurev-conmatphys-031218-013200	journal	March 2019
Investigation of the spin dynamics in YBa2Cu3O6+x by inelastic neutron scattering Rossat-Mignod, J.; Regnault, L. P.; Vettier, C. Physica B: Condensed Matter, Vol. 169, Issue 1-4 https://doi.org/10.1016/0921-4526(91)90208-V	journal	February 1991
Tc and Other Cuprate Properties in Relation to Planar Charges as Measured by NMR Jurkutat, Michael; Erb, Andreas; Haase, Jürgen Condensed Matter, Vol. 4, Issue 3 https://doi.org/10.3390/condmat4030067	journal	July 2019
Reducing Dzyaloshinskii-Moriya interaction and field-free spin-orbit torque switching in synthetic antiferromagnets Chen, Ruyi; Cui, Qirui; Liao, Liyang Nature Communications, Vol. 12, Issue 1 https://doi.org/10.1038/s41467-021-23414-3	journal	May 2021
Resonant x-ray scattering studies of charge order in cuprates Comin, Riccardo; Damascelli, Andrea arXiv https://doi.org/10.48550/arxiv.1509.03313	text	January 2015
Resonant soft X-ray scattering, stripe order, and the electron spectral function in cuprates Abbamonte, Peter; Demler, Eugene; Séamus Davis, J. C. Physica C: Superconductivity, Vol. 481 https://doi.org/10.1016/j.physc.2012.04.006	journal	November 2012
How to detect fluctuating stripes in the high-temperature superconductors Kivelson, S. A.; Bindloss, I. P.; Fradkin, E. Reviews of Modern Physics, Vol. 75, Issue 4 https://doi.org/10.1103/RevModPhys.75.1201	journal	October 2003
Computation of stripes in cuprates within the LDA + U method Anisimov, V. I.; Korotin, M. A.; Mylnikova, A. S. Physical Review B, Vol. 70, Issue 17 https://doi.org/10.1103/PhysRevB.70.172501	journal	November 2004
Numerical evidence of fluctuating stripes in the normal state of high-Tc cuprate superconductors Huang, Edwin W.; Mendl, Christian B.; Liu, Shenxiu arXiv https://doi.org/10.48550/arxiv.1612.05211	text	January 2016
Stripe order in the underdoped region of the two-dimensional Hubbard model Zheng, Bo-Xiao; Chung, Chia-Min; Corboz, Philippe arXiv https://doi.org/10.48550/arxiv.1701.00054	text	January 2017
Are Stripes a Universal Feature of High‐Tc Superconductors? Levi, Barbara Goss Physics Today, Vol. 51, Issue 6 https://doi.org/10.1063/1.882268	journal	June 1998
Orbital-Occupancy versus Charge Ordering and the Strength of Electron Correlations in Electron-Doped CaMnO 3 Luo, Weidong; Franceschetti, Alberto; Varela, Maria Physical Review Letters, Vol. 99, Issue 3 https://doi.org/10.1103/PhysRevLett.99.036402	journal	July 2007
Electronic structure of HgBa ₂ Ca _n ₋₁ Cu _n O _{2 n +2} ( n = 1, 2, 3) superconductor parent compounds from periodic hybrid density functional theory Moreira, Ibério de P. R.; Rivero, Pablo; Illas, Francesc The Journal of Chemical Physics, Vol. 134, Issue 7 https://doi.org/10.1063/1.3553259	journal	February 2011
Small polarons and magnetic antiphase boundaries in Ca 2 − x Na x Cu O 2 Cl 2 ( x = 0.06 , 0.12 ) : Origin of striped phases in cuprates Patterson, C. H. Physical Review B, Vol. 77, Issue 9 https://doi.org/10.1103/PhysRevB.77.094523	journal	March 2008
Zero field NMR of the magnetic copper sites in antiferromagnetic YBa2Cu3O6+x Mendels, P. Physica C: Superconductivity, Vol. 156, Issue 2 https://doi.org/10.1016/0921-4534(88)90173-6	journal	September 1988
STM checkerboards from crossed stripes: A static stripe model Markiewicz, R. S. Physical Review B, Vol. 71, Issue 22 https://doi.org/10.1103/PhysRevB.71.220504	journal	June 2005
Magnetic, transport, and optical properties of monolayer copper oxides Kastner, M. A.; Birgeneau, R. J.; Shirane, G. Reviews of Modern Physics, Vol. 70, Issue 3 https://doi.org/10.1103/RevModPhys.70.897	journal	July 1998
Misconceptions associated with the origin of charge density waves Zhu, Xuetao; Guo, Jiandong; Zhang, Jiandi Advances in Physics: X, Vol. 2, Issue 3 https://doi.org/10.1080/23746149.2017.1343098	journal	May 2017

Cited By (1)

First-principles calculation of spin and orbital contributions to magnetically ordered moments in Sr 2 IrO 4 Lane, Christopher; Zhang, Yubo; Furness, James W. Physical Review B, Vol. 101, Issue 15 https://doi.org/10.1103/physrevb.101.155110	journal	April 2020

Similar Records

Charge-stripe crystal phase in an insulating cuprate

Journal Article · 2018 · Nature Materials · OSTI ID:1495006

Zhao, He; Ren, Zheng; Rachmilowitz, Bryan; +5 more

A first-principles-based study of the thermodynamics of competing low-energy states in correlated materials: Example of cuprates

Other · 2019 · arXiv.org Repository · OSTI ID:1601230

Markiewicz, Robert S.; Zhang, Yubo; Lane, Christopher; +3 more

Magnetic and f-electron effects in LaNiO2 and NdNiO2 nickelates with cuprate-like $$3{d}_{{x}^{2}-{y}^{2}}$$ band

Journal Article · 2021 · Communications Physics · OSTI ID:1822785

Zhang, Ruiqi; Lane, Christopher; Singh, Bahadur; +5 more

Related Subjects

71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS

Title: Competing stripe and magnetic phases in the cuprates from first principles

Citation Formats

References (83)

Cited By (1)

Similar Records

Related Subjects