Please use this identifier to cite or link to this item:
|Title:||Charge-transfer-based mechanism for half-metallicity and ferromagnetism in one-dimensional organometallic sandwich molecular wires|
|Authors:||Shen, L. |
|Source:||Shen, L., Yang, S.-W., Ng, M.-F., Ligatchev, V., Zhou, L., Feng, Y. (2008-10-22). Charge-transfer-based mechanism for half-metallicity and ferromagnetism in one-dimensional organometallic sandwich molecular wires. Journal of the American Chemical Society 130 (42) : 13956-13960. ScholarBank@NUS Repository. https://doi.org/10.1021/ja804053a|
|Abstract:||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. © 2008 American Chemical Society.|
|Source Title:||Journal of the American Chemical Society|
|Appears in Collections:||Staff Publications|
Show full item record
Files in This Item:
There are no files associated with this item.
checked on Feb 28, 2018
WEB OF SCIENCETM
checked on Feb 19, 2018
checked on Mar 12, 2018
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.