Ab initio study on a chain model of the Cr-8 molecular magnet (Articolo in rivista)

Type
Label
  • Ab initio study on a chain model of the Cr-8 molecular magnet (Articolo in rivista) (literal)
Anno
  • 2008-01-01T00:00:00+01:00 (literal)
Alternative label
  • Tomecka, DM; Bellini, V; Troiani, F; Manghi, F; Kamieniarz, G; Affronte, M (2008)
    Ab initio study on a chain model of the Cr-8 molecular magnet
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Tomecka, DM; Bellini, V; Troiani, F; Manghi, F; Kamieniarz, G; Affronte, M (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 77 (literal)
Note
  • ISI Web of Science (WOS) (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • \"[Tomecka, D. M.; Kamieniarz, G.] Adam Mickiewicz Univ Poznan, Inst Phys, PL-61614 Poznan, Poland; [Tomecka, D. M.; Bellini, V.; Troiani, F.; Manghi, F.; Affronte, M.] CNR, INFM, Natl Ctr Nanostruct & Biosyst Surfaces S3, I-41100 Modena, Italy; [Bellini, V.] Univ Modena, CNISM Consorzio Nazl Interuniversitario Sci Fis M, Unita Modena, I-41100 Modena, Italy; [Bellini, V.] Univ Modena, Dipartimento Fis, I-41100 Modena, Italy (literal)
Titolo
  • Ab initio study on a chain model of the Cr-8 molecular magnet (literal)
Abstract
  • We present a density-functional theory investigation of the electronic and magnetic properties of a linear chain model of the antiferromagnetic Cr-8 molecular ring. The chain model system is characterized by a smaller size of the simulation cell needed to perform the calculations, with respect to the one necessary for Cr-8. By the thorough comparison between the model complex and the Cr-8 ring, we prove that the chain model is reliable and mimics with good approximation the electronic and magnetic properties of Cr-8. (literal)
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