Ab initio study of electronic and magnetic properties in TM-doped 2D silicon carbide
作者： M. Luo , Y.H. Shen , T.L. Yin
DOI: 10.1016/J.PHYSE.2016.08.028
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摘要: Abstract The magnetic properties of SiC monolayer with different TM atoms and substitutional sites are investigated using first-principles method. Magnetism is observed for all the dopants . moments binding energies quite between Si (TM Si) C (TMC) sites. Dependent to larger energy, we also investigate interaction two Mn in TMSi system. results show that ferromagnetic states originated by p–d hybridization mechanism its neighboring atoms. Moreover, antiferromagnetic coupling increasing Mn-Mn distance, which can be explained two-impurity Haldane-Anderson model quantum Monte Carlo method
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