Electronic structure and the origin of the Dzyaloshinskii-Moriya interaction in MnSi

Satpathy, S.; Shanavas, K. V.

doi:10.1103/PhysRevB.93.195101

Title: Electronic structure and the origin of the Dzyaloshinskii-Moriya interaction in MnSi

Journal Article · Mon May 02 00:00:00 EDT 2016 · Physical Review B

DOI:https://doi.org/10.1103/PhysRevB.93.195101· OSTI ID:1252152

Satpathy, S. ^[1]; Shanavas, K. V. ^[2]

Univ. of Missouri, Columbia, MO (United States)
Univ. of Missouri, Columbia, MO (United States); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

Here, the metallic helimagnet MnSi has been found to exhibit skyrmionic spin textures when subjected to magnetic fields at low temperatures. The Dzyaloshinskii-Moriya (DM) interaction plays a key role in stabilizing the skyrmion state. With the help of first-principles calculations, crystal field theory and a tight-binding model we study the electronic structure and the origin of the DM interaction in the B20 phase of MnSi. The strength of $$\vec{D}$$ parameter is determined by the magnitude of the spin-orbit interaction and the degree of orbital mixing, induced by the symmetry-breaking distortions in the B20 phase. We find that, strong coupling between Mn-$$d$$ and Si-$$p$$ states lead to a mixed valence ground state $$|d^{7-x}p^{2+x}\rangle$$ configuration. The experimental magnetic moment of $$0.4~\mu_B$$ is consistent with the Coulomb-corrected DFT+$$U$$ calculations, which redistributes electrons between the majority and minority spin channels. We derive the magnetic interaction parameters $$J$$ and $$\vec{D}$$ for Mn-Si-Mn superexchange paths using Moriya's theory assuming the interaction to be mediated by $$e_g$$ electrons near the Fermi level. Finally, using parameters from our calculations, we get reasonable agreement with the observations.

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Research Organization:: Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE

Grant/Contract Number:: AC05-00OR22725; FG02-00ER45818

OSTI ID:: 1252152

Alternate ID(s):: OSTI ID: 1250555

Journal Information:: Physical Review B, Vol. 93, Issue 19; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 26 works

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References (35)

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Muon contact hyperfine field in metals: A DFT calculation Onuorah, Ifeanyi John; Bonfà, Pietro; De Renzi, Roberto Physical Review B, Vol. 97, Issue 17 https://doi.org/10.1103/physrevb.97.174414	journal	May 2018
Electronic Structure and Magnetic Phase Transition in Helicoidal Fe1 - xCo x Si Ferromagnets Povzner, A. A.; Volkov, A. G.; Nogovitsyna, T. A. Physics of the Solid State, Vol. 60, Issue 2 https://doi.org/10.1134/s106378341802021x	journal	February 2018
Electronic Structure of B20 (FeSi-Type) Transition-Metal Monosilicides Pshenay-Severin, Dmitry A.; Burkov, Alexander T. Materials, Vol. 12, Issue 17 https://doi.org/10.3390/ma12172710	journal	August 2019

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