Abstract:
We have computed minimum energy magnetic structure configurations of Mn nanoclusters ranging from 10 to 55 atoms in size. Spin-polarized electronic properties are calculated by solving an spd tight-binding Hubbard like Hamiltonian in the unrestricted Hartree-Fock approximation by using a bulk-like parametrization. Uniform expansions and contractions are done to follow the dependence of magnetization on interatomic distance. The obtained results allow us to infer that close shell icosahedral structures are competitive with bcc-like ones for N=13, 19, 32, and 42, whereas for other N values the bcc (with and without central atom) are the ones with lowest electronic energy reproducing the general experimental behaviour. © 2004 Elsevier B.V. All rights reserved.
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Documento: |
Artículo
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Título: | Magnetic trends in Mnn nanoclusters effects of uniform relaxations on the magnetic properties |
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. Gral. Paz 1499, (1650) San Martín, Argentina Departamento de Física, FCEyN-UBA, Cdad. Universitaria, 1428 Buenos Aires, Argentina Instituto de Física, Univ. Auton. de S. Luis Potosi, San Luis Potosí, Mexico
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Palabras clave: | 36.40.Cg; 61.46.+w; 75.50.-y; 75.70.Rf; Electronic properties; Magnetic nanostructure; manganese; article; chemical structure; energy; magnetism; mathematical analysis; molecular dynamics |
Año: | 2004
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Volumen: | 325
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Número: | 2
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Página de inicio: | 144
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Página de fin: | 148
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DOI: |
http://dx.doi.org/10.1016/j.physleta.2004.03.041 |
Título revista: | Physics Letters, Section A: General, Atomic and Solid State Physics
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Título revista abreviado: | Phys Lett Sect A Gen At Solid State Phys
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ISSN: | 03759601
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CODEN: | PYLAA
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CAS: | manganese, 16397-91-4, 7439-96-5
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Registro: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_03759601_v325_n2_p144_Guevara |
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Citas:
---------- APA ----------
Guevara, J., Llois, A.M., Aguilera-Granja, F. & Montejano-Carrizales, J.M.
(2004)
. Magnetic trends in Mnn nanoclusters effects of uniform relaxations on the magnetic properties. Physics Letters, Section A: General, Atomic and Solid State Physics, 325(2), 144-148.
http://dx.doi.org/10.1016/j.physleta.2004.03.041---------- CHICAGO ----------
Guevara, J., Llois, A.M., Aguilera-Granja, F., Montejano-Carrizales, J.M.
"Magnetic trends in Mnn nanoclusters effects of uniform relaxations on the magnetic properties"
. Physics Letters, Section A: General, Atomic and Solid State Physics 325, no. 2
(2004) : 144-148.
http://dx.doi.org/10.1016/j.physleta.2004.03.041---------- MLA ----------
Guevara, J., Llois, A.M., Aguilera-Granja, F., Montejano-Carrizales, J.M.
"Magnetic trends in Mnn nanoclusters effects of uniform relaxations on the magnetic properties"
. Physics Letters, Section A: General, Atomic and Solid State Physics, vol. 325, no. 2, 2004, pp. 144-148.
http://dx.doi.org/10.1016/j.physleta.2004.03.041---------- VANCOUVER ----------
Guevara, J., Llois, A.M., Aguilera-Granja, F., Montejano-Carrizales, J.M. Magnetic trends in Mnn nanoclusters effects of uniform relaxations on the magnetic properties. Phys Lett Sect A Gen At Solid State Phys. 2004;325(2):144-148.
http://dx.doi.org/10.1016/j.physleta.2004.03.041