Berlin 2018 – wissenschaftliches Programm
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MA: Fachverband Magnetismus
MA 51: Magnetic textures II
MA 51.9: Vortrag
Donnerstag, 15. März 2018, 17:15–17:30, EB 407
Electronic and magnetic properties of the 2H-NbS2 and TaS2 compounds intercalated by 3d transition metals — •Svitlana Polesya1, Sergiy Mankovsky1, Sebastian Mangelsen2, Wolfgang Bensch2, and Hubert Ebert1 — 1Dept. Chemistry, LMU Munich, D-81377 Munich, Germany — 2Institute of Inorganic Chemistry, 24118 Kiel, Germany
The electronic structure and magnetic properties of the 2H-NbS2 and 2H-TaS2 compounds intercalated by 3d-elements for various 3d-concentrations have been investigated by means of the Korringa-Kohn-Rostoker (KKR) method. Investigations have been performed for the systems with and without atomic ordering of the 3d-element on its sublattice. Magnetic torque calculations have been performed to study the magneto-crystalline anisotropy (MCA) of the compounds for the ground state (T = 0 K). The calculated isotropic exchange coupling parameters have been used in MC simulations to investigate the magnetic structure and finite temperature magnetic properties of the systems. The calculations give rather strong interatomic Dzyaloshinskii-Moriya interactions (DMI) that can give rise to a helimagnetic structure as it occurs in Cr1/3NbS2 exhibiting FM order if the DMI is neglected. The negative exchange interactions in Fe1/3NbS2 results in a frustrated magnetic structure in line with experiment. The composition and temperature dependent transport properties have been investigated and compared with available experimental results.