Abstract

The electronic structure of Al6Mg4Cu quasicrystal has been calculated by two methods, i.e. self-consistent recursion method (RM) in real space and ab initio molecular dynamics (AIMD) in reciprocal space. The last one is more modern and powerful. The realistic atomic-structure model of the quasicrystal has been used in both cases(QCIC model). The electronic total density of states (TDOS) with pseudo gap on the Fermi level has been obtained both in RM and AIMD calculations. The atomic structure relaxation has been needed in second case for obtain good TDOS with pseudo gap on Fermi level. The partial density of states (PDOS) has been use for analyse electronic structure of Al6Mg4Cu quasicrystal. The spiky states has been observed in real space and has not been observed in reciprocal space.

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