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Half-metallicity induced by charge injection in hexagonal boron nitride clusters embedded in graphene

2012; American Physical Society; Volume: 86; Issue: 19 Linguagem: Inglês

10.1103/physrevb.86.195413

1550-235X

Marcos G. Menezes, Rodrigo B. Capaz,

Advancements in Battery Materials

We study the electronic structure and magnetic properties of h-BN triangular clusters embedded in graphene supercells. We find that, depending on the sizes of the clusters and the graphene separation region between them, spin polarization can be induced through charge doping or can be observed even in the neutral state. For these cases, half-metallicity is observed for certain charged states, which are otherwise metallic. In these half-metallic states, the spin density is concentrated near the edges of the clusters, in analogy to the more common predictions for half-metals in zigzag graphene nanoribbons and h-BN/graphene intercalated nanoribbons. Since experimental realizations of h-BN domains in graphene have already been reported, these heterostructures can be suitable candidates for nanoelectronics and spintronics applications.