Topologically induced semiconductivity in icosahedral Al-Pd-Re and its approximants surface
- Author(s)
- Marian Krajci, Juergen Hafner
- Abstract
We demonstrate that the opening of a semiconducting band-gap in the electronic spectrum of the i-Al-Pd-Re quasicrystal and its approximants is due to the formation of a topological band-gap, in analogy to the band-gap found in the FeSi (B20) structure. In both systems we have identified a network of linear chains of alternating Si(Al) and transition-metal (TM) atoms extending along twofold symmetry directions. In i-Al-Pd-Re the chains of alternating Al and TM atoms extend from a center of the pseudo-Mackay (M) cluster over the surface of the Bergman cluster to the center of another neighboring M cluster. Substitutional Al Pd defects and a fragmentation of the chains by phason defects lead to the formation of localized states in the band-gap. The band-gap of the real i-Al-Pd-Re quasicrystal is filled by localized states. The i-Al-Pd-Re quasicrystal thus behaves as a disordered semiconductor. © 2007 The American Physical Society. Society.
- Organisation(s)
- Computational Materials Physics
- External organisation(s)
- Slovenian Academy of Sciences and Arts
- Journal
- Physical Review B
- Volume
- 75
- No. of pages
- 18
- ISSN
- 1098-0121
- DOI
- https://doi.org/10.1103/PhysRevB.75.024116
- Publication date
- 2007
- Peer reviewed
- Yes
- Austrian Fields of Science 2012
- 1030 Physics, Astronomy
- Portal url
- https://ucrisportal.univie.ac.at/en/publications/37592993-bbbb-4248-aae4-5d138a7f1eee