Electronic and magnetic properties of the 2H-NbS${}_2$ intercalated by 3d transition metal atoms

Abstract

The electronic structure and magnetic properties of the 2H-NbS${}_2$ compound intercalated by Cr, Mn and Fe, have been investigated by means of the Korringa-Kohn-Rostoker (KKR) method. The calculations demonstrate easy plane magneto-crystalline anisotropy (MCA) of Cr${}_{1/3}$NbS${}_2$ monotonously decreasing towards the Curie temperature in line with the experimental results. The modification of the electronic structure results in a change of the easy axis from in-plane to out-of-plane. It is shown, that for Cr${}_{1/3}$NbS${}_2$ and Mn${}_{1/3}$NbS${}_2$ the in-plane MCA and Dzyaloshinskii-Moriya interactions results in a helimagnetic structure along the hexagonal $c$ axis, following the experimental observations. The negative exchange interactions in the Fe${}_{1/3}$NbS${}_2$ compound results in a non-collinear frustrated magnetic structure if the MCA is not taken into account. It is shown, however, that a strong MCA along the hexagonal $c$ axis leads to a magnetic ordering referred to as an ordering of the third kind, which was observed experimentally.

arXiv comment8 pages, 8 figures

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• Annihilation and Control of Chiral Domain Walls with Magnetic Fields
• Half-magnetization plateau and the origin of threefold symmetry breaking in an electrically-switchable triangular antiferromagnet
• Origins of anisotropic transport in electrically-switchable antiferromagnet $\mathrm{F}{\mathrm{e}}_1/3Nb{\mathrm{S}}_2$
• Role of intercalated Cobalt in the electronic structure of Co${}_{1/3}$NbS${}_2$
• Extended exchange interactions stabilize long-period magnetic structures in Cr${}_{1/3}$NbS${}_2$
• Magnetic-field-induced FM-AFM metamagnetic transition and strong negative magnetoresistance in Mn${}_{1/4}$NbS${}_2$ under pressure
• Magnetic interactions in intercalated transition metal dichalcogenides: a study based on ab initio model construction
• Persistent exchange splitting in a chiral helimagnet Cr1/3NbS2
• Thermal fluctuations in the conical state of monoaxial helimagnets
• Skyrmions and antiskyrmions in monoaxial chiral magnets
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• Optical fingerprints of the electronic band reconstruction in van der Waals magnetic materials
• Skyrmionic Schrödinger cat states in monoaxial chiral magnets