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Magnetism in molybdenum disulphide monolayer with sulfur substituted by 3d
K. Sato, L. Bergqvist, J. Kudrnovsky, P. H. Dederichs, O. Eriksson, I. Turek, B. Sanyal, G. Bouzerar, H. Katayama-Yoshida, V. A. Dinh, T. Fukushima, H. Kizaki, and R. Zeller, Rev. Mod. Phys. 82, 1633 (2010).
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With sulfur partially substituted by 3d transition metals, magnetism in a molybdenum disulphide monolayer is investigated comprehensively by the calculation of a spin-polarized density functional theory. The magnetic moment induced by a single defect is found to be equal to the absolute value of the magnetic moment of this defect atom subtracted by two Bohr magnetons. A detailed analysis on the locally projected density of states demonstrates that the underlying mechanism can be qualitatively interpreted in a simple ionic scenario. Subsequently, quasi one-dimensional superlattices of defects are built for the exploration of long range magnetic orders. Among four candidates of chromium and copper superlattices for high temperature dilute magnetic semiconductors
(DMSs), a particular chromium superlattice holds the promise of a room temperature DMS against the change of the on-site Coulomb interaction.
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