Accession Number : ADA187296

Title :   Electronic Structure of Alpha-Quartz and the Influence of Some Local Disorder: A Tight Binding Study,

Corporate Author : UNIVERSITY OF SOUTHERN CALIFORNIA LOS ANGELES

Personal Author(s) : Nucho, R N ; Madhukar, A

PDF Url : ADA187296

Report Date : Jan 1977

Pagination or Media Count : 5

Abstract : A study of the electronic structure of alpha quartz, the influence of short range departure from the alpha quartz geometry, and the correlations between charge transfer from silicon oxygen with variations in Si-O-Si bond angle is presented. For the first time, a framework is presented and utilized to shed light on the nature and origin of the several recently observed Si(2p) levels in XPS studies of bulk a-SiO2 as well as the interfacial region near the Si/SiO2 interface. In this paper we report the results of (i) a tight-binding study of the electronic structure of alpha-quartz, including second-nearest neighbors, (ii) some changes in this electronic structure caused by short range departures from the alpha-quartz geometry, and (iii) an analysis of the Si(2p) core level chemical shifts in a-SiO2 and near the Si/SiO2 interface, from which some inferences regarding the chemical and structural nature of this interface are drawn for the first time.

Descriptors :   *CHARGE TRANSFER, *GEOMETRY, *INTERFACES, *QUARTZ, ELECTRONICS, ORDER DISORDER TRANSFORMATIONS, OXYGEN, SHORT RANGE(DISTANCE), TIGHTNESS

Subject Categories : Inorganic Chemistry
      Physical Chemistry

Distribution Statement : APPROVED FOR PUBLIC RELEASE