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...

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Bibliographic Details
Published in:Journal of the American Chemical Society Vol. 130; no. 42; pp. 13956 - 13961
Main Authors: Lei Shen, Shuo-Wang Yang, Man-Fai Ng, Ligatchev, Valeri, Liping Zhou, Yuanping Feng
Format: Article
Published: American Chemical Society 10/22/2008
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