We investigate the electronic and magnetic properties of linear chains of 3d atoms, namely Cr and Mn, supported on a monolayer of copper nitride on Cu(1 0 0) using first principles LSDA calculations. Based on these results, we also calculate the intrachain magnetic coupling by means of an effective Heisenberg model. We obtain that, the sp occupation of the chains, the chemical environment and the lattice relaxation determine the magnetic properties of the investigated nanochains. © 2009 Elsevier B.V. All rights reserved.
Documento: | Artículo |
Título: | Substrate effects on the magnetic ground state of 3d transition metal chains |
Autor: | Urdaniz, M.C.; Barral, M.A.; Llois, A.M. |
Filiación: | Dpto de Física Juan José Giambiagi, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, 1428 Buenos Aires, Argentina Dpto de Física, Centro Atómico Constituyentes, Comisión Nacional de Energía Atómica, Argentina |
Palabras clave: | Electronic structure; Magnetic chains; Magnetic coupling; 3d transition metals; Chemical environment; Copper nitride; Cu(1 0 0); Effective Heisenberg model; Electronic and magnetic properties; First-principles; Lattice relaxation; Linear chain; Magnetic chains; Magnetic ground state; Nanochains; Substrate effects; Chromium; Electronic properties; Electronic structure; Magnetic couplings; Magnetic materials; Magnetic properties; Manganese; Manganese compounds; Monolayers; Nitrides; Three dimensional; Transition metals; Magnetism |
Año: | 2009 |
Volumen: | 404 |
Número: | 18 |
Página de inicio: | 2822 |
Página de fin: | 2825 |
DOI: | http://dx.doi.org/10.1016/j.physb.2009.06.108 |
Título revista: | Physica B: Condensed Matter |
Título revista abreviado: | Phys B Condens Matter |
ISSN: | 09214526 |
CODEN: | PHYBE |
Registro: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_09214526_v404_n18_p2822_Urdaniz |