Abstract:
The role of structure on the magnetic properties of Mn clusters is investigated by performing calculations for different growth families, icosahedral, bcc and fee. The spin-polarized electronic properties of these geometries are calculated by solving an spd tight-binding Hubbard-like Hamiltonian in the unrestricted Hartree-Fock approximation by using a bulk-like parametrization, extra orbitals of s-like character being added to take into account spillover effects present in transition metal clusters. Conclusions about the possible structure of these clusters as a function of size are drawn by comparison with recent experimental results. We find that for small clusters the preferred structure is mainly icosahedral while for larger sizes (N ≥ 30) the bcc structure begins to compete with the icosahedral one. The magnetic coupling within the clusters is non-ferromagnetic. © 2003 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Registro:
Documento: |
Artículo
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Título: | Magnetism of small Mn clusters |
Autor: | Guevara, J.; Llois, A.M.; Aguilera-Granja, F.; Montejano-Carrizales, J.M. |
Filiación: | Esc. de Ciencia y Tecnología, Universidad de San Martín, Alem 3901, 1651 San Martín, Argentina Departamento de Física, CAC-CNEA, Avda. Oral. Paz 1499, 1650 San Martín, Argentina Departamento de Física, FCEyN-UBA, Cdad. Universitaria, 1428 Buenos Aires, Argentina Institute de Física, Univ. Auton. San Luis Potosi, San Luis Potosi, Mexico
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Año: | 2003
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Volumen: | 239
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Número: | 2
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Página de inicio: | 457
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Página de fin: | 462
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DOI: |
http://dx.doi.org/10.1002/pssb.200301837 |
Título revista: | Physica Status Solidi (B) Basic Research
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Título revista abreviado: | Phys. Status Solidi B Basic Res.
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ISSN: | 03701972
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Registro: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_03701972_v239_n2_p457_Guevara |
Referencias:
- Alonso, J.A., (2000) Chem. Rev., 100, p. 637
- Douglass, D.C., Bucher, J.P., Bloomfield, L.A., (1992) Phys. Rev. B, 45, p. 6341
- Cox, A.J., Louderback, J.G., Bloomfield, L.A., (1993) Phys. Rev. Lett., 71, p. 923
- Cox, A.J., Louderback, J.G., Apsel, S.E., Bloomfield, L.A., (1994) Phys. Rev. B, 49, p. 12295
- Andriotis, A.N., Menon, M., (1998) Phys. Rev. B, 57, p. 10069
- Viitala, E., Häkkinen, H., Manninem, M., Timonen, J., (2000) Phys. Rev. B, 61, p. 8851
- Billas, I.M.L., Becker, J.A., Châtelain, A., De Heer, W.A., (1993) Phys. Rev. Lett., 71, p. 4067
- Billas, I.M.L., Châtelain, A., De Heer, W.A., (1994) Science, 265, p. 1682
- Guevara, J., Parisi, F., Llois, A.M., Weissmann, M., (1997) Phys. Rev. B, 55, p. 13283
- Aguilera-Granja, F., Bouarab, S., López, M.J., Vega, A., Montejano-Carrizales, J.M., Ĩniguez, M.P., Alonso, J.A., (1998) Phys. Rev. B, 57, p. 12469
- Guevara, J., Llois, A.M., Aguilera-Granja, F., Montejano-Carrizales, J.M., (1999) Solid State Commun., 111, p. 335
- Franco, J.A., Vega, A., Aguilera-Granja, F., (1999) Phys. Rev. B, 60, p. 434
- Guirado-López, R., Spanjaard, D., Desjonquères, M.C., Aguilera-Granja, F., (1998) J. Magn. Magn. Mater., 186, p. 214
- Knickelbein, M.B., (2001) Phys. Rev. Lett., 86, p. 5255
- Kasper, J.S., Roberts, B.W., (1956) Phys. Rev., 101, p. 537
- Najak, S.K., Jena, P., (1998) Chem. Phys. Lett., 289, p. 473
- Pederson, M.R., Reuse, F., Khanna, S.N., (1998) Phys. Rev. B, 58, p. 5632
- Briere, T.M., Sluiter, M.H.F., Kumar, V., Kawazoe, Y., (2002) Phys. Rev. B, 66, p. 064412
- Kurz, Ph., Bihlmayer, G., Hirai, K., Blügel, S., (2001) Phys. Rev. Lett., 86, p. 1106
- Knickelbein, M.B., (2002) J. Chem. Phys., 116, p. 9703
- Fabricius, G., Lois, A.M., Weissmann, M., Khan, M.A., (1994) Phys. Rev. B, 49, p. 2121
- Fabricius, G., Llois, A.M., Weissmann, M., (1991) Phys. Rev. B, 44, p. 6870
- Andersen, O.K., Jepsen, O., (1984) Phys. Rev. Lett., 53, p. 2471
- Andersen, O.K., Jepsen, O., Gloetzel, D., (1985) Highlights of Condensed Matter Theory, , edited by F. Bassani, F. Fumi, and M. Tosi (North-Holland, Amsterdam)
- Bandyopadhyay, T., Sarma, D.D., (1989) Phys. Rev. B, 39, p. 3517
Citas:
---------- APA ----------
Guevara, J., Llois, A.M., Aguilera-Granja, F. & Montejano-Carrizales, J.M.
(2003)
. Magnetism of small Mn clusters. Physica Status Solidi (B) Basic Research, 239(2), 457-462.
http://dx.doi.org/10.1002/pssb.200301837---------- CHICAGO ----------
Guevara, J., Llois, A.M., Aguilera-Granja, F., Montejano-Carrizales, J.M.
"Magnetism of small Mn clusters"
. Physica Status Solidi (B) Basic Research 239, no. 2
(2003) : 457-462.
http://dx.doi.org/10.1002/pssb.200301837---------- MLA ----------
Guevara, J., Llois, A.M., Aguilera-Granja, F., Montejano-Carrizales, J.M.
"Magnetism of small Mn clusters"
. Physica Status Solidi (B) Basic Research, vol. 239, no. 2, 2003, pp. 457-462.
http://dx.doi.org/10.1002/pssb.200301837---------- VANCOUVER ----------
Guevara, J., Llois, A.M., Aguilera-Granja, F., Montejano-Carrizales, J.M. Magnetism of small Mn clusters. Phys. Status Solidi B Basic Res. 2003;239(2):457-462.
http://dx.doi.org/10.1002/pssb.200301837