On the metallic behavior of Co clusters

The role of structure in the nonmetal-metal transition of Co clusters is investigated by performing calculations for different symmetries: hexahedral, octahedral and decahedral. This transition occurs when the density of states at the Fermi level exceeds l/kBT and the discrete energy levels begin to...

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Detalles Bibliográficos
Autores principales:	Guevara, Alejandro Javier, Llois, Ana María
Publicado:	2000
Materias:	A. Insulators A. Metals A. Nanostructures Approximation theory Band structure Cobalt Computational methods Electronic density of states Electronic structure Fermi level Nanostructured materials Phase transitions Cobalt clusters Hubbard tight-binding Hamiltonian Electric insulating materials
Acceso en línea:	https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00381098_v113_n3_p147_AguileraGranja http://hdl.handle.net/20.500.12110/paper_00381098_v113_n3_p147_AguileraGranja
Aporte de:	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

id	paper:paper_00381098_v113_n3_p147_AguileraGranja
record_format	dspace
spelling	paper:paper_00381098_v113_n3_p147_AguileraGranja2023-06-08T15:02:59Z On the metallic behavior of Co clusters Guevara, Alejandro Javier Llois, Ana María A. Insulators A. Metals A. Nanostructures Approximation theory Band structure Cobalt Computational methods Electronic density of states Electronic structure Fermi level Nanostructured materials Phase transitions Cobalt clusters Hubbard tight-binding Hamiltonian Electric insulating materials The role of structure in the nonmetal-metal transition of Co clusters is investigated by performing calculations for different symmetries: hexahedral, octahedral and decahedral. This transition occurs when the density of states at the Fermi level exceeds l/kBT and the discrete energy levels begin to form a quasi-continuous band. The electronic structure is calculated including spd orbitals and spillover effects in a Hubbard Hamiltonian solved within the unrestricted Hartree-Fock approximation. We find that in small clusters (N ≤ 40) the metallic behavior is strongly related to the geometrical structure of the cluster. We compare our results with those coming out of a simple Friedel's model. © 1999 Elsevier Science Ltd. All rights reserved. Fil:Guevara, J. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. Fil:Llois, A.M. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. 2000 https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00381098_v113_n3_p147_AguileraGranja http://hdl.handle.net/20.500.12110/paper_00381098_v113_n3_p147_AguileraGranja
institution	Universidad de Buenos Aires
institution_str	I-28
repository_str	R-134
collection	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
topic	A. Insulators A. Metals A. Nanostructures Approximation theory Band structure Cobalt Computational methods Electronic density of states Electronic structure Fermi level Nanostructured materials Phase transitions Cobalt clusters Hubbard tight-binding Hamiltonian Electric insulating materials
spellingShingle	A. Insulators A. Metals A. Nanostructures Approximation theory Band structure Cobalt Computational methods Electronic density of states Electronic structure Fermi level Nanostructured materials Phase transitions Cobalt clusters Hubbard tight-binding Hamiltonian Electric insulating materials Guevara, Alejandro Javier Llois, Ana María On the metallic behavior of Co clusters
topic_facet	A. Insulators A. Metals A. Nanostructures Approximation theory Band structure Cobalt Computational methods Electronic density of states Electronic structure Fermi level Nanostructured materials Phase transitions Cobalt clusters Hubbard tight-binding Hamiltonian Electric insulating materials
description	The role of structure in the nonmetal-metal transition of Co clusters is investigated by performing calculations for different symmetries: hexahedral, octahedral and decahedral. This transition occurs when the density of states at the Fermi level exceeds l/kBT and the discrete energy levels begin to form a quasi-continuous band. The electronic structure is calculated including spd orbitals and spillover effects in a Hubbard Hamiltonian solved within the unrestricted Hartree-Fock approximation. We find that in small clusters (N ≤ 40) the metallic behavior is strongly related to the geometrical structure of the cluster. We compare our results with those coming out of a simple Friedel's model. © 1999 Elsevier Science Ltd. All rights reserved.
author	Guevara, Alejandro Javier Llois, Ana María
author_facet	Guevara, Alejandro Javier Llois, Ana María
author_sort	Guevara, Alejandro Javier
title	On the metallic behavior of Co clusters
title_short	On the metallic behavior of Co clusters
title_full	On the metallic behavior of Co clusters
title_fullStr	On the metallic behavior of Co clusters
title_full_unstemmed	On the metallic behavior of Co clusters
title_sort	on the metallic behavior of co clusters
publishDate	2000
url	https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00381098_v113_n3_p147_AguileraGranja http://hdl.handle.net/20.500.12110/paper_00381098_v113_n3_p147_AguileraGranja
work_keys_str_mv	AT guevaraalejandrojavier onthemetallicbehaviorofcoclusters AT lloisanamaria onthemetallicbehaviorofcoclusters
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On the metallic behavior of Co clusters

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