@article{b4aef2f850184fe5ae7ce413693ff734,
title = "Prediction of insulating quasicrystalline approximants using ab initio electronic structure calculations",
abstract = "Ab initio density-functional calculations have been used to search for icosahedral Al-transition-metal alloys with insulating behavior. We predict that low-order approximants to icosahedral AlPdTM, TM = Co, Rh, Ir are narrow-gap semiconductors. The stability of the gap suggests that it will survive in the quasicrystalline limit at least as a very deep pseudogap. We show that gap formation results from strong orbital hybridization and metallocovalent bonding, in analogy to many crystalline aluminides.",
author = "Marian Krajci and Juergen Hafner",
note = "Zeitschrift: Physical Review B - Condensed Matter and Materials Physics Coden: PRBMD Art-Nr: 052201 Affiliations: Institut f{\"u}r Materialphysik, Ctr. for Compl. Materials Science, Universit{\"a}t Wien, Sensengasse 8/12, A-1090 Wien, Austria; Institute of Physics, Slovak Academy of Sciences, D{\'u}bravsk{\'a} cesta 9, SK-84228 Bratislava, Slovakia Adressen: Kraj?{\'i}, M.; Institut f{\"u}r Materialphysik; Ctr. for Compl. Materials Science; Universit{\"a}t Wien; Sensengasse 8/12 A-1090 Wien, Austria Import aus Scopus: 2-s2.0-0037300276 22.10.2007: Datenanforderung 1935 (Import Sachbearbeiter) 22.10.2007: Datenanforderung 1936 (Import Sachbearbeiter)",
year = "2003",
doi = "10.1103/PhysRevB.67.052201",
language = "English",
volume = "67",
journal = "Physical Review B",
issn = "1098-0121",
publisher = "AMER PHYSICAL SOC",
number = "5",
}