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Tailoring Magnetic Properties in Transition Metal-Benzene Sandwich Clusters : Ways to Design Molecular Magnets

Author
WENG, Hongming1 ; OZAKI, Taisuke1 ; TERAKURA, Kiyoyuki1 2 3
[1] Research Center for Integrated Science, Japan Advanced Institute of Science and Technology, Nomi, Ishikawa 923-1292, Japan
[2] Creative Research Initiative Sousei, Hokkaido University, Sapporo 001-0021, Japan
[3] Research Institute for Computational Sciences, Advanced Institute of Science and Technology, Tsukuba, Ibaraki 305-8568, Japan
Source

Journal of the Physical Society of Japan. = Nihon Butsuri Gakkai ōji hōkoku. 2008, Vol 77, Num 6 ; 064301.1-064301.8 ; ref : 23 ref

CODEN
JUPSAU
ISSN
0031-9015
Scientific domain
Crystallography; Mechanics acoustics; Condensed state physics; Theoretical physics
Publisher
Institute of Pure and Applied Physics, Tokyo / Physical Society of Japan, Tokyo
Publication country
Japan
Document type
Article
Language
English
Author keyword
ab initio calculation benzene sandwiches electronic and magnetic structure ferromagnetic cluster tight-binding model
Keyword (fr)
Agrégat moléculaire Aimant moléculaire Antiferromagnétisme Approximation liaison forte Benzène Calcul ab initio Densité porteur charge Densité état électron Ferromagnétisme Hybridation Interaction échange Métal transition Composé Méthode fonctionnelle densité Structure sandwich Structure électronique
Keyword (en)
Molecular clusters Molecular magnet Antiferromagnetism Tight binding approximation Benzene Ab initio calculations Carrier density Electronic density of states Ferromagnetism Hybridization Exchange interactions Transition elements Compounds Density functional method Sandwich structures Electronic structure
Keyword (es)
Compuesto
Classification
Pascal
001 Exact sciences and technology / 001B Physics / 001B70 Condensed matter: electronic structure, electrical, magnetic, and optical properties / 001B70C Electronic structure and electrical properties of surfaces, interfaces, thin films and low-dimensional structures / 001B70C22 Electronic structure of nanoscale materials : clusters, nanoparticles, nanotubes, and nanocrystals

Pascal
001 Exact sciences and technology / 001B Physics / 001B70 Condensed matter: electronic structure, electrical, magnetic, and optical properties / 001B70E Magnetic properties and materials / 001B70E50 Studies of specific magnetic materials / 001B70E50X Molecular magnets

Discipline
Physics of condensed state : electronic structure, electrical, magnetic and optical properties
Origin
Inist-CNRS
Database
PASCAL
INIST identifier
20531348

Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS

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