Abstract

The manipulation effects by doping of 2p light elements X (X = B, C, and N) on topological surface states in V2VI3 (V = Bi and Sb, VI = Se and Te) are systemically explored. Our results unveil that X doping at anion sites can induce magnetic moments and gap opening at the Dirac point. To have a stable magnetic ground state, the dopant 2p states must be sufficiently localized, which closely depends on the X-V bond lengths. The incorporation of 2p dopants paves a promising way of tuning the properties of topological insulators and may find applications in spintronics.

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