Artículo
Guevara, J.; Parisi, F.; Llois, A.M.; Weissmann, M. "Electronic properties of transition-metal clusters: Consideration of the spillover in a bulk parametrization" (1997) Physical Review B - Condensed Matter and Materials Physics. 55(19):13283-13287
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Abstract:
We calculate the electronic structure of 3d transition-metal clusters with a model Hamiltonian that takes into account electron spillover at the cluster surface and uses bulk parameter values for the interactions. We perform calculations for fcc and bcc clusters of up to 177 atoms making use of symmetry properties. We obtain magnetic moments and ionization potentials for Ni, Co, and Fe clusters, and compare with different experimental results inferring that the essential features of the electronic and magnetic properties are reproduced, starting from an spd-bulk parametrization, if a realistic approach for electron spillover is considered.
Registro:
| Documento: | Artículo |
| Título: | Electronic properties of transition-metal clusters: Consideration of the spillover in a bulk parametrization |
| Autor: | Guevara, J.; Parisi, F.; Llois, A.M.; Weissmann, M. |
| Filiación: | Departamento de Física, Comn. Nac. de Ener. Atómica, Avda del Libertador 8250, 1429 Buenos Aires, Argentina Esc. de Ciencia y Tecnología, Univ. Nacional de San Martín, Argentina Departamento de Física, Fac. de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Argentina |
| Idioma: | Inglés |
| Año: | 1997 |
| Volumen: | 55 |
| Número: | 19 |
| Página de inicio: | 13283 |
| Página de fin: | 13287 |
| Título revista: | Physical Review B - Condensed Matter and Materials Physics |
| Título revista abreviado: | Phys. Rev. B Condens. Matter Mater. Phys. |
| ISSN: | 01631829 |
| CODEN: | PRBMD |
| Registro: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_01631829_v55_n19_p13283_Guevara |
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Citas:
---------- APA ----------
Guevara, J., Parisi, F., Llois, A.M. & Weissmann, M. (1997) . Electronic properties of transition-metal clusters: Consideration of the spillover in a bulk parametrization. Physical Review B - Condensed Matter and Materials Physics, 55(19), 13283-13287.Recuperado de https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_01631829_v55_n19_p13283_Guevara [ ]
---------- CHICAGO ----------
Guevara, J., Parisi, F., Llois, A.M., Weissmann, M. "Electronic properties of transition-metal clusters: Consideration of the spillover in a bulk parametrization" . Physical Review B - Condensed Matter and Materials Physics 55, no. 19 (1997) : 13283-13287.Recuperado de https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_01631829_v55_n19_p13283_Guevara [ ]
---------- MLA ----------
Guevara, J., Parisi, F., Llois, A.M., Weissmann, M. "Electronic properties of transition-metal clusters: Consideration of the spillover in a bulk parametrization" . Physical Review B - Condensed Matter and Materials Physics, vol. 55, no. 19, 1997, pp. 13283-13287.Recuperado de https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_01631829_v55_n19_p13283_Guevara [ ]
---------- VANCOUVER ----------
Guevara, J., Parisi, F., Llois, A.M., Weissmann, M. Electronic properties of transition-metal clusters: Consideration of the spillover in a bulk parametrization. Phys. Rev. B Condens. Matter Mater. Phys. 1997;55(19):13283-13287.Available from: https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_01631829_v55_n19_p13283_Guevara [ ]
