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.

8 pages, 8 figures

References in corpus (3)

• The anomalous Hall Effect and magnetoresistance in the layered ferromagnet Fe_{1/4}TaS_2: the inelastic regime
• Very large magnetoresistance in Fe${}_{0.28}$TaS${}_2$ single crystals
• Magnetic properties of the helimagnet Cr1/3NbS2 observed by muSR

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• Magnetic interactions in intercalated transition metal dichalcogenides: a study based on ab initio model construction
• Persistent exchange splitting in a chiral helimagnet Cr1/3NbS2
• Skyrmions and antiskyrmions in monoaxial chiral magnets
• Optical fingerprints of the electronic band reconstruction in van der Waals magnetic materials
• Temperature- and field angular-dependent helical spin period characterized by magnetic dynamics in a chiral helimagnet $MnN{b}_3{S}_6$
• Skyrmionic Schrödinger cat states in monoaxial chiral magnets