Modeling ferro- and antiferromagnetic interactions in metal-organic coordination networks

Magnetization curves of two rectangular metal-organic coordination networks formed by the organic ligand TCNQ (7,7,8,8-tetracyanoquinodimethane) and two different (Mn and Ni) 3d transition metal atoms [M(3d)] show marked differences that are explained using first-principles density functional theory...

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Detalles Bibliográficos
Autores principales: Faraggi, M.N., Golovach, V.N., Stepanow, S., Tseng, T.-C., Abdurakhmanova, N., Kley, C.S., Langner, A., Sessi, V., Kern, K., Arnau, A.
Formato: JOUR
Materias:
Antiferromagnetism
Atoms
Calculations
Ferromagnetic materials
Ferromagnetism
Magnetic couplings
Magnetic moments
Manganese
Metals
Nickel
Organometallics
Spin polarization
Transition metals
3d transition metals
Antiferro-magnetic interactions
Antiferromagnetic correlations
Ferromagnetic coupling
First-principles density functional theory
Magnetization curves
Metal organic coordination
Spin magnetic moments
Density functional theory
Acceso en línea:http://hdl.handle.net/20.500.12110/paper_19327447_v119_n1_p547_Faraggi
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

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