DEFORMABLE SHELL MODEL CALCULATION OF INFRARED ABSORPTION FREQUENCIES OF IONIC CRYSTALS

被引:22
作者
ROY, D
BASU, AN
SENGUPTA, S
机构
[1] Physics Department, New Alipore College, Calcutta
[2] Physics Department, Jadavpur University, Calcutta
[3] Physics Department, Maulana Azad College, Calcutta
来源
PHYSICA STATUS SOLIDI | 1969年 / 35卷 / 01期
关键词
D O I
10.1002/pssb.19690350152
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
The deformable shell model which includes many‐body effects and accounts for the breakdown of Cauchy relation is extended to the case of the CsCl structure. The TO mode frequencies for q = 0 are calculated for eight ionic crystals of both NaCl and CsCl structures. For comparison, the shell model values are also calculated. The results are compared with the infrared absorption frequencies. It is found that the deformable shell model gives better agreement than the shell model. The result is particularly striking for crystals showing a large Cauchy relation breakdown. Copyright © 1969 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim
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页码:499 / &
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