Proper and improper chiral magnetic interactions

Dias, Manuel dos Santos; Brinker, Sascha; Lászlóffy, András; Nyári, Bendegúz; Blügel, Stefan; Szunyogh, L.; Lounis, Samir

doi:10.1103/physrevb.103.l140408

Cited by 17 publications

(3 citation statements)

References 33 publications

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“…The resulting spin model correctly describes the thermodynamics of the spin system, despite the relatively small moment and small ordering temperature. It is possible that an improvement could be achieved by performing the RTM calculations with a non-collinear reference state that closely resembles the ground state of the system, however there is a strong debate still in the literature on the calculation of spin models from non-collinear reference states [28][29][30][31].…”

Section: Discussionmentioning

confidence: 99%

Incommensurate magnetic ordering in CrB₂

Deák

Jackson

Nyári

et al. 2022

J. Phys.: Condens. Matter

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Incommensurate magnetism in CrB2 is studied in terms of a spin model based on density functional theory calculations. Heisenberg exchange interactions derived from the paramagnetic phase using the disordered local moment theory show significant differences compared with those resulting from the treatment of the material as a ferromagnet; of these two methods, the disordered local moment theory is found to give a significantly more realistic description. We calculate strongly ferromagnetic interactions between Cr planes but largely frustrated interactions within Cr planes. Although we find that the ground state ordering vector is sensitive to exchange interactions over a large number of neighbour shells, the q-vector of the incommensurate spin spiral state is satisfactorily reproduced by the theory (0.213 compared with the known ordering vector 0.285 × (2π)/(a/2) along Γ − K). The strong geometric frustration of the exchange interactions causes a rather low Néel temperature (about 97 K), also in good agreement with experiment.

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Section: Discussionmentioning

confidence: 99%

Incommensurate magnetic ordering in CrB₂

Deák

Jackson

Nyári

et al. 2022

J. Phys.: Condens. Matter

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“…These changes are caused by the shift of the bands as ∆ increases. 24), as each of its contributions separately as defined in equation ( 25 Performing a multiple-scattering expansion of the Green functions involved in defining the MEIs, in the same spirit than the approach undertaken in [74,[76][77][78][79], we end up with systematic corrections illustrated in figures 4(a) and (b). The derivations are based on the Green functions expanded in equations ( 27)- (30).…”

Section: Symmetric Magnetic Exchangementioning

confidence: 99%

Magnetic exchange interactions at the proximity of a superconductor

Aceves Rodriguez,

Guimarães,

Brinker

et al. 2024

J. Phys.: Condens. Matter

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Interfacing magnetism with superconductivity gives rise to a wonderful playground for intertwining key degrees of freedom: Cooper pairs, spin, charge, and spin-orbit interaction, from which emerge a wealth of exciting phenomena, fundamental in the nascent field of superconducting spinorbitronics and topological quantum technologies. Magnetic exchange interactions (MEI), being isotropic or chiral such as the Dzyaloshinskii-Moriya interactions (DMI), are vital in establishing the magnetic behavior at these interfaces as well as in dictating not only complex transport phenomena, but also the manifestation of topologically trivial or non-trivial objects. Here, we propose a methodology enabling the extraction of the tensor of MEI from electronic structure simulations accounting for superconductivity. We apply our scheme to the case of a Mn layer deposited on Nb(110) surface and explore proximity-induced impact on the MEI. The latter are weakly modified by a realistic electron-phonon coupling. However, tuning the superconducting order parameter, we unveil potential change of the magnetic order accompanied with chirality switching, as induced by the interplay of spin-orbit interaction and Cooper pairing. Owing to its simple formulation, our methodology can be readily implemented in state-of-the-art frameworks capable of tackling superconductivity and magnetism. We thus foresee implications in the simulations and prediction of topological superconducting bits as well as \new{of} cryogenic superconducting hybrid devices involving magnetic units.

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“…The origin of the TCI parameters have been discussed in the literature suggesting a different interpretation of the corresponding terms derived also within the multiple-scattering theory Green function formalism [79,86,87]. However, the expression worked out in reference [86] has obviously not been applied for calculations so far.…”

Section: Multi-spin Expansion Of Spin Hamiltonian: General Remarksmentioning

confidence: 99%

First-principles calculation of the parameters used by atomistic magnetic simulations

Mankovsky

Kashyap

2022

Electron. Struct.

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While the ground state of magnetic materials is in general well described on the basis of spin den- sity functional theory (SDFT), the theoretical description of finite-temperature and non-equilibrium properties require an extension beyond the standard SDFT. Time-dependent SDFT (TD-SDFT), which give for example access to dynamical properties are computationally very demanding and can currently be hardly applied to complex solids. Here we focus on the alternative approach based on the combination of a parameterized phenomenological spin Hamiltonian and SDFT-based electronic structure calculations, giving access to the dynamical and finite-temperature properties for example via spin-dynamics simulations using the Landau-Lifshitz-Gilbert (LLG) equation or Monte Carlo simulations. We present an overview on the various methods to calculate the parameters of the various phenomenological Hamiltonians with an emphasis on the KKR Green function method as one of the most flexible band structure methods giving access to practically all relevant parameters. Concerning these, it is crucial to account for the spin-orbit coupling (SOC) by performing rela- tivistic SDFT-based calculations as it plays a key role for magnetic anisotropy and chiral exchange interactions represented by the DMI parameters in the spin Hamiltonian. This concerns also the Gilbert damping parameters characterizing magnetization dissipation in the LLG equation, chiral multispin interaction parameters of the extended Heisenberg Hamiltonian, as well as spin-lattice interaction parameters describing the interplay of spin and lattice dynamics processes, for which an efficient computational scheme has been developed recently by the present authors.

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Proper and improper chiral magnetic interactions

Cited by 17 publications

References 33 publications

Incommensurate magnetic ordering in CrB₂

Incommensurate magnetic ordering in CrB₂

Magnetic exchange interactions at the proximity of a superconductor

First-principles calculation of the parameters used by atomistic magnetic simulations

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Proper and improper chiral magnetic interactions

Cited by 17 publications

References 33 publications

Incommensurate magnetic ordering in CrB2

Incommensurate magnetic ordering in CrB2

Magnetic exchange interactions at the proximity of a superconductor

First-principles calculation of the parameters used by atomistic magnetic simulations

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Product

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Incommensurate magnetic ordering in CrB₂

Incommensurate magnetic ordering in CrB₂