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Electronic and Magnetic Properties of Co-doped Rb2Ni3S4
Published:
11 November 2020
by MDPI
in The 2nd International Online Conference on Crystals
session Crystalline Materials
Abstract:
Rb2Ni3S4 is a Kagome system belonging to the space group Fmmm (Orthorhombic). Here we performed density functional theory (DFT) calculation using the full potential local orbital code (FPLO) and identified ferromagnetic ground state with low magnetic moment. We consider Co doping by replacement of Ni on Rb2Ni3S4 . Interestingly half metallic ferromagnetic behavior is observed with a total magnetic moment of 1.999 µB / unit cell. This indicates that the material is suitable spintronics device application in Kagome system. Moreover, due to the strong localization of electrons the flat band is observed near the vicinity of Fermi level which would be supportive in the study of possible super conducting nature of the material.
Keywords: Kagome systems, Density Functional Theory (DFT), Flat bands