ELECTRONIC AND LATTICE STRUCTURES OF A SE-TE ALLOYED CHAIN

被引：4

作者：

IKAWA, A

FUKUTOME, H

机构：

[1] Department of Physics, Kyoto University

来源：

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN | 1990年 / 59卷 / 11期

关键词：

D O I：

10.1143/JPSJ.59.4041

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

We study the electronic and lattice structures of a single chain of randomly alloyed Se and Te (Se1-xTex) by an INDO type semi-empirical model. The model explains the Te concentration dependences of the gap and the mean bond lengths observed in Se1-xTex enclosed in channels of mordenite. The gap decreased with x because Te has lone pair levels higher than those of Se though their σ* levels are nearly at the same positions. The Se-Se and Se-Te mean bond lengths are increased by the intramolecular charge transfer from the lone pairs of the adjacent Te to the σ* orbitals of these bonds. The polarization effect of the σ bond due to adjacent Se contributes partly to the observed increase in the quadrupole splitting in 125Te Mossbauer spectrum. © 1990, THE PHYSICAL SOCIETY OF JAPAN. All rights reserved.

引用

页码：4041 / 4048

页数：8

共 18 条

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