Charge-Transfer-Based Mechanism for HaIf-Metallicity and Ferromagnetism in One-Dimensional Organometallic Sandwich Molecular Wires.
We present a systematic theoretical study on the mechanism of half-metallicity and ferromagnetism for one-dimensional (1-D) sandwich molecular wires (SMWs) constructed with altering cyclopentadienyl (Cp) and first-row transition metal (Mt). It is unveiled for the first time that, in (MtCp), one vale...
| Publicado en: | Journal of the American Chemical Society Vol. 130; no. 42; pp. 13956 - 13961 |
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| Autores principales: | , , , , , |
| Formato: | Artículo |
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American Chemical Society
10/22/2008
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| Materias: | |
| Acceso en línea: | Ver este registro en EBSCOhost |
| fields | @attributes: recordID: 1 pdfLink: plink: https://search.ebscohost.com/login.aspx?direct=true&db=hlh&AN=34961249&site=ehost-live header: @attributes: shortDbName: hlh uiTerm: 34961249 longDbName: Humanities International Complete uiTag: AN controlInfo: bkinfo: jinfo: jid: 00027863 ACS jtl: Journal of the American Chemical Society issn: 00027863 maglogo: N pubinfo: dt: 10/22/2008 vid: 130 iid: 42 pid: 997 pub: American Chemical Society artinfo: ui: 34961249 10.1021/ja804053a ppf: 13956 ppct: 5 formats: tig: atl: Charge-Transfer-Based Mechanism for HaIf-Metallicity and Ferromagnetism in One-Dimensional Organometallic Sandwich Molecular Wires. aug: au: Lei Shen Shuo-Wang Yang Man-Fai Ng Ligatchev, Valeri Liping Zhou Yuanping Feng affil: Institute of High Performance Computing, 1 Fusionopolis Way, #16-16 Connexis, Singapore 138632, Singapore Department of Physics, Faculty of Science, National University of Singapore, Singapore 117542, Singapore Jiangsu Key Laboratory of Thin Films, Department of Physics, Suzhou University, Suzhou, 215006, China su: Nanowires Ferromagnetism Transition metals Cyclopentadiene Charge exchange Aromatic compounds sug: subj: Nanowires Ferromagnetism Transition metals Cyclopentadiene Charge exchange Aromatic compounds ab: We present a systematic theoretical study on the mechanism of half-metallicity and ferromagnetism for one-dimensional (1-D) sandwich molecular wires (SMWs) constructed with altering cyclopentadienyl (Cp) and first-row transition metal (Mt). It is unveiled for the first time that, in (MtCp), one valence electron would transfer from the Mt to the Cp ring, forming Cp and Mt altering structures. This electron transfer not only makes them more stable than the benzene analogues (MtBz) but also leads to completely different half-metallic and ferromagnetic mechanisms. We analyze such unusual half-metallicity and ferromagnetic behaviors and explain each SMW magnetic moment quantitatively. Finally, we indicate that a Peierls transition does not occur in these 1-D SMWs. pubtype: Academic Journal doctype: Article src: R language: English refInfo: copyright: @attributes: flag: Y dt: @attributes: year: 2008 holdings: @attributes: islocal: N |
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