Volume 36, Number 8, December II 1996
|Page(s)||583 - 588|
|Section||Atomic, molecular and optical physics|
|Published online||01 September 2002|
Tubular structure in α-rhombohedral quasicrystals: Ab initio study of two fused boron icosahedra
Bergische Universität, Gesamthochschule Wuppertal, FB 9
- Theoretische Chemie, Gaußstraße 20, D-42097 Wuppertal,
2 Universität Tübingen, Institut für Theoretische Physik, Auf der Morgenstelle 14, D-72076 Tübingen, Germany
Accepted: 31 October 1996
An oblate rhombohedral unit cell of α-boron crystal was constructed and the transition of two icosahedra lying at the ends of its short body diagonal was simulated. By applying ab initio Hartree-Fock self-consistent field methods different configurations of two icosahedra were investigated. The obtained structure exhibits a closed tubular form of two coalesced interpenetrating icosahedra. A model based on a cluster, composed of two icosahedra with mutual three interfacing atoms suggested in a previous study, was also investigated.
PACS: 36.40.Qv – Stability and fragmentation of clusters / 61.44.Br – Quasicrystals / 71.10.-w – Theories and models of many electron systems
© EDP Sciences, 1996
Current usage metrics show cumulative count of Article Views (full-text article views including HTML views, PDF and ePub downloads, according to the available data) and Abstracts Views on Vision4Press platform.
Data correspond to usage on the plateform after 2015. The current usage metrics is available 48-96 hours after online publication and is updated daily on week days.
Initial download of the metrics may take a while.