Electronic structure in icosahedral AlCuLi quasicrystals and approximant crystals
- 29 August 1994
- journal article
- Published by IOP Publishing in Journal of Physics: Condensed Matter
- Vol. 6 (35) , 6977-6995
- https://doi.org/10.1088/0953-8984/6/35/008
Abstract
The electronic structure has been calculated for large approximant crystals (up to 51752 atoms in the periodically repeated cell) to icosahedral AlCuLi quasicrystals. The results show that a deep structure-induced pseudogap at the Fermi energy is a generic property of the quasicrystal and its crystalline approximants. The physical mechanism for the formation of the gap is discussed on the basis of a quasiperiodic generalization of the nearly-free-electron model.Keywords
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