2 research outputs found
Magic structures of helical multi-shell zirconium nanowires
The structures of free-standing zirconium nanowires with 0.62.8 nm in
diameter are systematically studied by using genetic algorithm simulations with
a tight-binding many body potential. Several multi-shell growth sequences with
cylindrical structures are obtained. These multi-shell structures are composed
of coaxial atomic shells with the three- and four-strands helical, centered
pentagonal and hexagonal, and parallel double-chain-core curved surface
epitaxy. Under the same growth sequence, the numbers of atomic strands in
inner- and outer-shell show even-odd coupling and usually differ by five. The
size and structure dependence of angular correlation functions and vibrational
properties of zirconium nanowire are also discussed.Comment: 14 pages, 4 figure