Spiky density of states in large complex Al-Mn phases
| dc.creator | De Laissardière, Guy Trambly | |
| dc.date | 2008-09-23 | |
| dc.date.accessioned | 2026-07-07T13:00:01Z | |
| dc.date.available | 2026-07-07T13:00:01Z | |
| dc.description | First-principle electronic structure calculations have been performed in crystalline complex phases mu-Al4Mn and lambda-Al4Mn using the TB-LMTO method. These atomic structures, related to quasicrystalline structures, contain about 560 atoms in a large hexagonal unit cell. One of the main characteristic of their density of states is the presence of fine peaks the so-called "spiky structure". From multiple-scattering calculations in real space, we show that these fine peaks are not artifacts in ab-initio calculations, since they result from a specific localization of electrons by atomic clusters of different length scales. | |
| dc.identifier | https://arxiv.org/abs/0809.3993 | |
| dc.identifier | http://arxiv.org/abs/0809.3993 | |
| dc.identifier | Zeitschrift fur Kristallographie - New Crystal Structures 224, 1-2 (2009) 123-126 | |
| dc.identifier | doi:10.1524/zkri.2009.1092 | |
| dc.identifier.uri | http://salesiana.dossiersoluciones.com/handle/123456789/225748 | |
| dc.subject | Materials Science | |
| dc.title | Spiky density of states in large complex Al-Mn phases | |
| dc.type | text |