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.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.