title: Double metallocene nanowires.
abstract: The structural, electronic, and magnetic properties of double metallocene nanowires PnM(2) (Pn = C(8)H(6), M = V, Cr, Mn, Co, and Ni) are investigated within the framework of gradient-corrected density functional theory. The PnMn(2) nanowire is predicted to be ferromagnetic while other nanowires are either antiferromagnitic or nonmagnetic. In addition, the PnMn(2) nanowire exhibits zigzag-like structural distortion that might result from the Peierls instability. The PnV(2) nanowire has the largest cohesive energy and shortest metal-metal distance and is likely the most stable structure among the 1D double metallocene nanowires.
authors.affiliation: Department of Chemistry and Nebraska Center for Materials and Nanoscience, University of Nebraska, Lincoln, Nebraska 68588, USA.
authors.forename: Xiaojun
authors.initials: X
authors.lastname: Wu
authors.forename: Xiao Cheng
authors.initials: XC
authors.lastname: Zeng