abstract
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We have studied the nonmetal-metal transition in Ni clusters. A self-consistent tight-binding method for the s, p and d valence electrons has been used to calculate the density of states and the prescription employed to identify the nonmetal-metal transition was Kubo%27s criterion that the density of states at the Fermi level should exceed 1/kBT. The calculated critical cluster size decreases fast with increasing temperature T and at the liquid nitrogen temperature clusters of about 50 atoms already present metallic behavior. © 1997 Elsevier Science Ltd.
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We have studied the nonmetal-metal transition in Ni clusters. A self-consistent tight-binding method for the s, p and d valence electrons has been used to calculate the density of states and the prescription employed to identify the nonmetal-metal transition was Kubo's criterion that the density of states at the Fermi level should exceed 1/kBT. The calculated critical cluster size decreases fast with increasing temperature T and at the liquid nitrogen temperature clusters of about 50 atoms already present metallic behavior. © 1997 Elsevier Science Ltd.
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