Calculation of Transport Parametersof SiO2 Polymorphs

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. Twodifferent ab initio methods have been used to calculate the full-band structure and theelectronic properties of the polymorphs. In particular, the Hartree-Fock (HF) andDensity-Functional Theory (DFT) approaches have been selected. A comparison ofthe energy-band branches and DOS shapes is reported, showing the similarities ofthe electrical properties that characterize the polymorphs under study. Finally, somerelevant properties are compared for the analyzed set of polymorphs