CALCULATION OF G-TENSOR AND SI-29 HYPERFINE TENSORS OF E'1 CENTER IN SILICON DIOXIDE

被引：35

作者：

GOBSCH, G ^{[1
]}

HABERLANDT, H ^{[1
]}

WECKNER, HJ ^{[1
]}

REINHOLD, J ^{[1
]}

机构：

[1] KARL MARX UNIV,SEKT CHEM,DDR-701 LEIPZIG,GER DEM REP

来源：

PHYSICA STATUS SOLIDI B-BASIC RESEARCH | 1978年 / 90卷 / 01期

关键词：

D O I：

10.1002/pssb.2220900134

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

Both the g‐tensor and the tensors of 29Si hyperfine interactions are calculated for the model of an O− vacancy in α‐quartz with asymmetric lattice distortion proposed by Yip and Fowler to explain the E′1 centre in SiO2. The extended Hückel theory (EHT) is applied to an α‐quartz cluster. The dangling bonds of the outer atoms are saturated by hydrogen. Theoretical and experimental results agree quantitatively well. Similar calculations are performed for the analogous model in β‐cristobalite. Computations with and without consideration of Si3d functions are compared. Copyright © 1978 WILEY‐VCH Verlag GmbH & Co. KGaA

引用

页码：309 / 317

页数：9

共 26 条

[1] ELECTRONIC STRUCTURE OF DEFECT CENTERS IN SIO2 [J].