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Emergence of half-metallicity in suspended NiO chains:<i>Ab initio</i>electronic structure and quantum transport calculations
Contrary to the antiferromagnetic and insulating character of bulk NiO, one-dimensional chains of this material can become half-metallic due to the lower coordination of their atoms. Here we present ab initio electronic structure and quantum transport calculations of ideal infinitely long NiO chains and of more realistic short ones suspended …