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Physical Review BVolume 100, Issue 21, 2 December 2019, Article number 214401

Origin of up-up-down-down magnetic order in Cu2GeO4(Article)(Open Access)

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  • aTheoretical Physics and Applied Mathematics Department, Ural Federal University, Yekaterinburg, 620002, Russian Federation
  • bExperimental Physics VI, Center for Electronic Correlations and Magnetism, Institute of Physics, University of Augsburg, Augsburg, 86135, Germany

Abstract

We use density-functional band-structure calculations to explore the origin of the up-up-down-down (UUDD) magnetic order in Cu2GeO4 with the frustrated J1-J2 spin chains coupled into layers within the spinel-like crystal structure. In contrast to earlier studies, we find that the nearest-neighbor coupling J1 should be negligibly small, due to a nearly perfect compensation of the ferromagnetic direct exchange and antiferromagnetic superexchange. Under this condition, weak symmetric anisotropy of the exchange couplings gives rise to the UUDD order observed experimentally and also elucidates the nontrivial ordering pattern between the layers, whereas a small Dzyaloshinskii-Moriya interaction causes a spin canting that may generate local electric polarization. We argue that the buckling of the copper chains plays a crucial role in the suppression of J1 in Cu2GeO4 and sets this compound apart from other J1-J2 chain magnets. © 2019 American Physical Society.

Indexed keywords

Engineering controlled terms:AntiferromagnetismCopper compoundsCrystal structure
Engineering uncontrolled termsAntiferromagnetic superexchangeBand structure calculationDensity functionalsDzyaloshinskii-Moriya interactionElectric polarizationMagnetic ordersNearest-neighbor couplingOrder patterns
Engineering main heading:Germanium compounds

Funding details

Funding sponsor Funding number Acronym
18-32-00018
Alexander von Humboldt-Stiftung
See opportunities
Russian Science Foundation18-12-00185RSF

  • 1

    We would like to thank Yaroslav O. Kvashnin (Uppsala University) for his help with the elk code. The work of D.I.B. was funded by RFBR according to the research Project No. 18-32-00018. The work of V.V.M. was supported by the Russian Science Foundation, Grant No. 18-12-00185. A.A.T. acknowledges financial support by the Federal Ministry for Education and Research through the Sofja Kovalevskaya Award of the Alexander von Humboldt Foundation. APPENDIX:

  • ISSN: 24699950
  • Source Type: Journal
  • Original language: English
  • DOI: 10.1103/PhysRevB.100.214401
  • Document Type: Article
  • Publisher: American Physical Society

  Tsirlin, A.A.; Theoretical Physics and Applied Mathematics Department, Ural Federal University, Yekaterinburg, Russian Federation;
© Copyright 2019 Elsevier B.V., All rights reserved.

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