Substrate effects on the magnetic ground state of 3d transition metal chains

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...

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Detalles Bibliográficos
Autores principales: Urdaniz, M.C., Barral, M.A., Llois, A.M.
Formato: JOUR
Materias:
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 ground state
Nanochains
Substrate effects
Chromium
Electronic properties
Magnetic couplings
Magnetic materials
Magnetic properties
Manganese
Manganese compounds
Monolayers
Nitrides
Three dimensional
Transition metals
Magnetism
Acceso en línea:http://hdl.handle.net/20.500.12110/paper_09214526_v404_n18_p2822_Urdaniz
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires
Descripción
Sumario: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.

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