Dzyaloshinsky-Moriya antisymmetric exchange coupling in cuprates: Oxygen effects

Moskvin, A. S.

doi:10.1134/s106377610706009x

Cited by 24 publications

(15 citation statements)

References 36 publications

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“…Some of these mechanisms have been described in the literature, 17 but here we complete the analysis and classify the different mechanisms by increasing importance.…”

Section: Description Of the Dominant Mechanismsmentioning

confidence: 99%

Antisymmetric Magnetic Interactions in Oxo-Bridged Copper(II) Bimetallic Systems

Maurice

Pradipto

Guihéry

et al. 2010

J. Chem. Theory Comput.

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The antisymmetric magnetic interaction is studied using correlated wave-function-based calculations in oxo-bridged copper bimetallic complexes. All of the anisotropic multispin Hamiltonian parameters are extracted using spin-orbit state interaction and effective Hamiltonian theory. It is shown that the methodology is accurate enough to calculate the antisymmetric terms, while the small symmetric anisotropic interactions require more sophisticated calculations. The origin of the antisymmetric anisotropy is analyzed, and the effect of geometrical deformations is addressed.

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“…Some of these mechanisms have been described in the literature, 17 but here we complete the analysis and classify the different mechanisms by increasing importance.…”

Section: Description Of the Dominant Mechanismsmentioning

confidence: 99%

Antisymmetric Magnetic Interactions in Oxo-Bridged Copper(II) Bimetallic Systems

Maurice

Pradipto

Guihéry

et al. 2010

J. Chem. Theory Comput.

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“…In his famous article, Moriya first derived this terms in an atomic orbital (AO) basis and with a crystal field picture in 1960. Decades later, this work was extended by Moskvin to include contributions from the bridging oxygens, 36 i.e. for not restricting the expression to the metal AOs.…”

Section: Please Cite This Article Asmentioning

confidence: 99%

How to create giant Dzyaloshinskii–Moriya interactions? Analytical derivation and ab initio calculations on model dicopper(II) complexes

Bouammali

Suaud

Martins

et al. 2021

The Journal of Chemical Physics

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This paper is a theoretical "proof of concept" on how the on-site first-order spin-orbit coupling can generate giant Dzyaloshinskii-Moriya interaction in binuclear transition metal complexes. This effective interaction plays a key role in strongly correlated materials, skyrmions, multiferroics, molecular magnets of promising use in quantum information science and computing. Despite this, its determination from both theory and experiment is still in its infancy and existing systems usually exhibit very tiny magnitudes. We derive analytical formulas that perfectly reproduce both the nature and the magnitude of the Dzyaloshinskii-Moriya interaction calculated using state-ofthe-art ab initio calculations performed on model bicopper(II) complexes. We also study which geometrical structures/ligand-field forces would enable one to control the magnitude and the orientation of the Dzyaloshinskii Moriya vector in order to guide future synthesis of molecules or materials. This article provides an understanding of its microscopic origin and proposes recipes to increase its magnitude. We show that i) the on-site mixings of 3d orbitals rules the orientation and magnitude of this interaction, ii) increased values can be obtained by choosing more covalent complexes, iii) huge values (~1000 cm -1 ) and controlled orientations could be reached by approaching structures exhibiting on-site first-order SOC, i.e. displaying an "unquenched orbital momentum".

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“…In the PE structure two pathways, a left and right chiral, contribute toD 12 as we show in Fig. 3 given by [28,29] …”

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confidence: 98%

Ferroelectrically Induced Weak Ferromagnetism by Design

2008

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We present a strategy to design structures for which a polar lattice distortion induces weak ferromagnetism. We identify a large class of multiferroic oxides as potential realizations and use density-functional theory to screen several promising candidates. By elucidating the interplay between the polarization and the Dzyaloshinskii-Moriya vector, we show how the direction of the magnetization can be switched between 180 degrees symmetry equivalent states with an applied electric field.

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Dzyaloshinsky-Moriya antisymmetric exchange coupling in cuprates: Oxygen effects

Cited by 24 publications

References 36 publications

Antisymmetric Magnetic Interactions in Oxo-Bridged Copper(II) Bimetallic Systems

Antisymmetric Magnetic Interactions in Oxo-Bridged Copper(II) Bimetallic Systems

How to create giant Dzyaloshinskii–Moriya interactions? Analytical derivation and ab initio calculations on model dicopper(II) complexes

Ferroelectrically Induced Weak Ferromagnetism by Design

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