Magnetism caused by 3d-metals

Abstract

Magnetic properties of Ag2S doped with 3d-transition metals were studied using density functional theory (DFT). It was found that magnetic elements such as Co, Cr and Mn cause magnetism in the structure. The nature of this magnetism is mainly from the 3d-states of the magnetic elements. The magnetic moment of supercells containing various concentrations (x= 2.08%, 4.1%, 8.3%) of dopant atoms has been studied. It was determined that the contribution of the magnetic elements is significant in the total magnetic moment of supercells. Calculation results reveal that when doped with impurity atoms, supercells show half metallicity and ferromagnetic (FM) nature which makes them the best candidate to be used in the field of spintronics.