EXTENDED DEFORMABLE SHELL-MODEL FOR IONIC-CRYSTALS INCLUDING QUADRUPOLAR DEFORMATION OF THE CHARGE CLOUD

被引：4

作者：

GHOSH, S ^{[1
]}

BASU, AN ^{[1
]}

SENGUPTA, S ^{[1
]}

机构：

[1] PRESIDENCY COLL,SOLID STATE PHYS RES CTR,DEPT PHYS,CALCUTTA 700012,INDIA

来源：

PHYSICA STATUS SOLIDI B-BASIC RESEARCH | 1979年 / 94卷 / 02期

关键词：

D O I：

10.1002/pssb.2220940240

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

It is well known that the dipolar and scalar deformation of the charge cloud around an ion in ionic crystals are quite significant in describing the different lattice mechanical properties. Even after the inclusion of the above deformations systematic discrepancies between theory and experiment persist. An attempt is made to incorporate the effect of the quadrupolar distortion of the charge cloud in the framework of the deformable shell model. All the relevant equations and lattice sums are evaluated for the CsCl structure and a preliminary application of the complete model which takes into account simultaneously the scalar, the dipolar and the quadrupolar deformation considered for a CsCl structure crystal. So far there is no estimate of the effect of the quadrupolar distortion on the different properties of a crystal belonging to CsCl structure. The calculation indicates that the effect is quite considerable for certain properties and its inclusion improves the overall agreement with experiment. Copyright © 1979 WILEY‐VCH Verlag GmbH & Co. KGaA

引用

页码：673 / 683

页数：11

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