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Electronic, magnetic and transport properties of Fe intercalated 2H-TaS$_2$ studied by means of the KKR-CPA method

The electronic, magnetic and transport properties of Fe intercalated 2H-TaS$_2$ have been investigated by means of the Korringa-Kohn-Rostoker (KKR) method. The non-stoichiometry and disorder in the system has been accounted for using the Coherent Potential Approximation (CPA) alloy theory. A pronounced influence of disorder on the spin magnetic moment has been found for the ferro-magnetically ordered material. The same applies for the spin-orbit induced orbital magnetic moment and magneto-crystalline anisotropy energy. The temperature-dependence of the resistivity of disordered 2H-Fe$_{0.28}$TaS$_2$ investigated on the basis of the Kubo-Středa formalism in combination with the alloy analogy model has been found in very satisfying agreement with experimental data. This also holds for the temperature dependent anomalous Hall resistivity $ ρ_{\rm xy}(T) $. The role of thermally induced lattice vibrations and spin fluctuations for the transport properties is discussed in detail.