ELECTRONIC STATES SPECTRUM FOR LEAD SILICATE-GLASSES WITH DIFFERENT SHORT-RANGE ORDER STRUCTURES

被引：22

作者：

GUBANOV, VA ^{[1
]}

ZATSEPIN, AF ^{[1
]}

KORTOV, VS ^{[1
]}

NOVIKOV, DL ^{[1
]}

FREIDMAN, SP ^{[1
]}

CHERLOV, GB ^{[1
]}

SHCHAPOVA, UV ^{[1
]}

机构：

[1] ACAD SCI USSR,INST CHEM,SVERDLOVSK,USSR

来源：

JOURNAL OF NON-CRYSTALLINE SOLIDS | 1991年 / 127卷 / 03期

关键词：

D O I：

10.1016/0022-3093(91)90478-O

中图分类号：

TQ174 [陶瓷工业]; TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

Molecular orbital (MO) linear combination of atomic orbitals (LCAO) simulation of the electronic states spectra of PbO-SiO2 glass with different structures of short-range order is performed. It is determined that superposing of 'almost free' Pb2+ ion levels on silicon-oxygen spectrum takes place in low-lead glass, whereas high-lead glasses are characterized by mixing of Pb and O atoms valency states. Density-of-states peaks in X-ray photoelectron spectra and optical Pb6s --> Pb6p transition with 5.2-3.0 eV energy as a function of Pb structural role are identified. The most probable radiation centers in PbO-SiO2 glasses are the analogues of known E- and H+ centers formed on the band energies edges as a result of electron-hole localization = Si-O-...Pb2+ fragments.

引用

页码：259 / 266

页数：8

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