Journal
JOURNAL OF APPLIED PHYSICS
Volume 120, Issue 14, Pages -Publisher
AMER INST PHYSICS
DOI: 10.1063/1.4964797
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Funding
- National Basic Research Program of China [2014CB921203, 2015CB921004, 2012CB932704]
- National Natural Science Foundation of China [NSFC-21573195, 51472215, 91433103, 51222202]
- Fundamental Research Funds for the Central Universities in China
- Program for New Century Excellent Talents in Universities
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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. Published by AIP Publishing.
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