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

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