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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-Stv{r}eda 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 $ rho_{rm xy}(T) $. The role of thermally induced lattice vibrations and spin fluctuations for the transport properties is discussed in detail.
Magnetic properties of a $sigma-$Fe$_{16}$Cr$_{14}$ alloy calculated with the charge and spin self- consistent Korringa-Kohn-Rostoker (KKR) and combined with coherent potential approximation (KKR-CPA) methods are reported. Non-magnetic state as well
The method of electronic structure calculations for strongly correlated disordered materials is developed employing the basic idea of coherent potential approximation (CPA). Evolution of electronic structure and spin magnetic moment value with concen
Here we use low-temperature scanning tunneling microscopy and spectroscopy to reveal the roles of the narrow electronic band in two 1$T$-TaS$_2$ related materials (bulk 1$T$-TaS$_2$ and 4$H_{rm b}$-TaS$_2$). 4$H_{rm b}$-TaS$_2$ is a superconducting c
Since the discovery of graphene -a single layer of carbon atoms arranged in a honeycomb lattice - it was clear that this truly is a unique material system with an unprecedented combination of physical properties. Graphene is the thinnest membrane pre
We report a systematic first-principles study on the recent discovered superconducting Ba$_{1-x}$K$_x$Fe$_2$As$_2$ systems ($x$ = 0.00, 0.25, 0.50, 0.75, and 1.00). Previous theoretical studies strongly overestimated the magnetic moment on Fe of the