Cluster model of disordered systems: application to doped semiconductors and a simple model polymer
1982 (English)Doctoral thesis, comprehensive summary (Other academic)
In this thesis we study with an extended cluster model calculation the combined effect of disorder and electron-electron interaction on the electronic structure of doped semiconductors and a simple model polymer chain. First a one-band model using a Hartree calculation is compared to other authors result for the impurity band using less realistic Hamiltonians. Secondly a two-band model using a Hartree-Fock calculation is presented. Thecalculated concentration depende nce of the electronic specific heat shows good agreement with the experimental findings. A modified Hartree-Fock scheme is then presented with the upper Hubbard band properly placed. Here it is shown that below the metal-nonmetal transition the one-particle wavefunctions are localized on statistically distributed clusters of impurity atoms. In the last part a stereo-irregular chain of h ydrogen atoms which simulates a model polymer is studied within the modified Hartree-Fock scheme. A detailed study of the localization properties of the wavefunctions is given with a combination of the information extracted from the inverse participation ratio and the moment ana lysis.
Place, publisher, year, edition, pages
Vimmerby: VTT-Grafiska , 1982. , 36 p.
Linköping Studies in Science and Technology. Dissertations, ISSN 0345-7524 ; 76
IdentifiersURN: urn:nbn:se:liu:diva-87396ISBN: 91-7372-525-0OAI: oai:DiVA.org:liu-87396DiVA: diva2:589248
1982-05-07, Sal BDL-6, Universitetet i Linköping, Linköping, 10:15 (Swedish)
Papers, included in the Ph.D. thesis, are not registered and included in the posts from 1999 and backwards.2013-01-172013-01-172013-01-17Bibliographically approved