Abstract
Wave packet dynamics is an efficient method of computational quantum
mechanics. Understanding the dynamics of electrons in nanostructures is
important in both interpreting measurements on the nano-scale and for
designing nanoelectronics devices. The time dependent dynamics is
available through the solution of the time dependent Schrodinger-or
Dirac equation. The energy dependent dynamics can be calculated by the
application of the time-energy Fourier transform. We performed such
calculations for various sp(2) carbon nanosystems, e.g. graphene grain
boundaries and nanotube networks. We identified the global-and local
structural properties of the system which influence the transport
properties, such as the structures, sizes, and relative angles of the
translation periodic parts, and the microstructure of the interfaces
between them. Utilizing modified dispersion relations makes it possible
to extend the method to graphene like materials as well.
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