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Consejo Nacional de Ciencia y Tecnología, CONACYT: G25851-E
Physics Letters, Section A: General, Atomic and Solid State Physics
Generically Dependent Continuant
RDF description of Nonmetal-metal transition in Rh(N) and Ru(N) clusters - http://orbis.uaslp.mx/vivo/individual/scopus916
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The nonmetal-metal transition in Rh(N) and Ru(N) clusters is studied by using a d-electron tight-binding Hubbard Hamiltonian including Coulomb interactions in the unrestricted Hartree-Fock approximation. The nonmetal-metal transition occurs when the density of states at the Fermi level exceeds 1/k(B)T and the discrete energy levels begin to form a quasi-continuous band. The role of the cluster structure is investigated by performing calculations for fcc and bcc geometries. The critical size for the nonmetal-metal transition in the clusters decreases fast with increasing T and at the liquid nitrogen temperature (T = 77 K) the critical size is of the order of 60 to 80 atoms. (C) 2000 Published by Elsevier Science B.V.
Crystal structure; Electric currents; Electron energy levels; Hartree approximation; Liquefied gases; Cluster structure; Critical size; Density of state; Discrete energy levels; Hubbard Hamiltonians; Liquid nitrogen temperature; Nonmetal-metal transition; Unrestricted Hartree-Fock; Metals; liquid nitrogen; metal complex; rhodium; ruthenium; article; energy; geometry; model; molecular interaction; physics; temperature
Nonmetal-metal transition in Rh(N) and Ru(N) clusters