Abstract
The structures of ultrathin rhodium nanowires are studied using empiricalmolecular dynamics simulations with a genetic algorithm. Helical multishellcylindrical and pentagonal packing structures are found. The electronic andmagnetic properties of the rhodium nanowires are calculated using an spdtight-binding Hamiltonian in the unrestricted Hartree–Fock approximation. Theaverage magnetic moment and electronic density of states are obtained. Ourresults indicate that the electronic and magnetic properties of the rhodiumnanowires depend not only on the size of the wire but also on the atomicstructure. In particular, centred pentagonal and hexagonal structures can beunusually ferromagnetic.
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