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It is found that all the zigzag chains except the nonmagnetic (NM) Ni andantiferromagnetic (AF) Fe chains which form a twisted two-legger ladder, looklike a corner-sharing triangle ribbon, and have a lower total energy than thecorresponding linear chains. All the 3d transition metals in both linear andzigzag structures have a stable or metastable ferromagnetic (FM) state. Theelectronic spin-polarization at the Fermi level in the FM Sc, V, Mn, Fe, Co andNi linear chains is close to 90% or above. In the zigzag structure, the AFstate is more stable than the FM state only in the Cr chain. It is found thatthe shape anisotropy energy may be comparable to the electronic one and alwaysprefers the axial magnetization in both the linear and zigzag structures. Inthe zigzag chains, there is also a pronounced shape anisotropy in the planeperpendicular to the chain axis. Remarkably, the axial magnetic anisotropy inthe FM Ni linear chain is gigantic, being ~12 meV/atom. Interestingly, there isa spin-reorientation transition in the FM Fe and Co linear chains when thechains are compressed or elongated. Large orbital magnetic moment is found inthe FM Fe, Co and Ni linear chains.

Systematic {\it ab initio} study of the magnetic and electronic properties of all 3d transition metal linear and zigzag nanowires