ELECTRONS AND STRUCTURE OF QUASI-PERIODIC ONE-DIMENSIONAL CHAINS

Citation
K. Schmidt et M. Springborg, ELECTRONS AND STRUCTURE OF QUASI-PERIODIC ONE-DIMENSIONAL CHAINS, Synthetic metals, 57(2-3), 1993, pp. 4473-4478
Citations number
7
Categorie Soggetti
Physics, Condensed Matter","Metallurgy & Mining
Journal title
ISSN journal
03796779
Volume
57
Issue
2-3
Year of publication
1993
Pages
4473 - 4478
Database
ISI
SICI code
0379-6779(1993)57:2-3<4473:EASOQO>2.0.ZU;2-C
Abstract
The electronic properties of a quasiperiodic one-dimensional chain wit h a Fibonacci-sequence of atomic sites are studied with a modified Su- Schrieffer-Heeger (SSH) model. The optimal geometrical structure is ca lculated automatically by means of the forces. In order to quantify th e localization/delocalization of the electronic orbitals we define a d egree of localization based on an autocorrelation function. Our main i nterest is the differences in the electronic properties between a neut ral and a doped system. It is demonstrated that, if the system is rigi d enough, the degree of the localization and the total density of the states (DOS) are relatively insensitive to the site-relaxation caused by doping. Furthermore, the unoccupied states of a neutral system have the tendency to be more localized after doping. If the system is more flexible the self-similar structure of the DOS is disturbed and there is a larger difference in the studied properties.