most citedThe Origin of Half-Metallicity in Conjugated Electron System -- a Study on Transition Metal Doped Graphyne

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cond-mat.mes-hall2013★ 27 cited

The Origin of Half-Metallicity in Conjugated Electron System -- a Study on Transition Metal Doped Graphyne

Lida Pan, Boqun Song, Jiatao Sun +4

We studied the mechanism of half-metallicity (HM) formation in transition metal doped (TM) conjugated carbon based structures by first-principles electronic structure simulations.…