1,200 research outputs found
Recursive generation of IPR fullerenes
We describe a new construction algorithm for the recursive generation of all
non-isomorphic IPR fullerenes. Unlike previous algorithms, the new algorithm
stays entirely within the class of IPR fullerenes, that is: every IPR fullerene
is constructed by expanding a smaller IPR fullerene unless it belongs to
limited class of irreducible IPR fullerenes that can easily be made separately.
The class of irreducible IPR fullerenes consists of 36 fullerenes with up to
112 vertices and 4 infinite families of nanotube fullerenes. Our implementation
of this algorithm is faster than other generators for IPR fullerenes and we
used it to compute all IPR fullerenes up to 400 vertices.Comment: 19 pages; to appear in Journal of Mathematical Chemistr
Electronic structure of periodic curved surfaces -- continuous surface versus graphitic sponge
We investigate the band structure of electrons bound on periodic curved
surfaces. We have formulated Schr\"{o}dinger's equation with the Weierstrass
representation when the surface is minimal, which is numerically solved. Bands
and the Bloch wavefunctions are basically determined by the way in which the
``pipes'' are connected into a network, where the Bonnet(conformal)-transformed
surfaces have related electronic strucutres. We then examine, as a realisation
of periodic surfaces, the tight-binding model for atomic networks
(``sponges''), where the low-energy spectrum coincides with those for
continuous curved surfaces.Comment: 4 page
Electronic structure of periodic curved surfaces -- topological band structure
Electronic band structure for electrons bound on periodic minimal surfaces is
differential-geometrically formulated and numerically calculated. We focus on
minimal surfaces because they are not only mathematically elegant (with the
surface characterized completely in terms of "navels") but represent the
topology of real systems such as zeolites and negative-curvature fullerene. The
band structure turns out to be primarily determined by the topology of the
surface, i.e., how the wavefunction interferes on a multiply-connected surface,
so that the bands are little affected by the way in which we confine the
electrons on the surface (thin-slab limit or zero thickness from the outset).
Another curiosity is that different minimal surfaces connected by the Bonnet
transformation (such as Schwarz's P- and D-surfaces) possess one-to-one
correspondence in their band energies at Brillouin zone boundaries.Comment: 6 pages, 8 figures, eps files will be sent on request to
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