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VLSI Design
Volume 13 (2001), Issue 1-4, Pages 311-315
http://dx.doi.org/10.1155/2001/64901

Calculation of Transport Parameters of SiO2 Polymorphs

1Dipartimento di Elettronica,, Informatica e Sistemistica, Università di Bologna, Viale Risorgimento 2, Bologna 40136, Italy
2Dipartimento di Chimica Applieata e Scienza dei Materiali, Università di Bologna, Viale Risorgimento 2, Bologna 40136, Italy

Copyright © 2001 Hindawi Publishing Corporation. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Abstract

Silica polymorphs have been analyzed, that are similar to the amorphous phase of SiO2; specifically, the α- and β-quartz, and the α- and β-cristobalite have been addressed. Two different ab initio methods have been used to calculate the full-band structure and the electronic properties of the polymorphs. In particular, the Hartree-Fock (HF) and Density-Functional Theory (DFT) approaches have been selected. A comparison of the energy-band branches and DOS shapes is reported, showing the similarities of the electrical properties that characterize the polymorphs under study. Finally, some relevant properties are compared for the analyzed set of polymorphs.