LATTICE-DYNAMICS OF CA AND SR IN BCC AND FCC PHASES - A DYNAMIC TREATMENT

被引：7
|
作者：
SINGH, N
SINGH, SP
机构：
[1] Department of Physics, Maharshi Dayanand University, Rohtak
来源：
PHYSICA STATUS SOLIDI B-BASIC RESEARCH | 1990年 / 158卷 / 02期
关键词：
D O I：
10.1002/pssb.2221580204
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
The pair potential defined for transition metals in a previous paper is extended to study the phonon dispersion of alkaline earths. The overlap between d states on different ions and the effect of sd hybridization are included in ion‐ion interaction as has been suggested by Wills and Harrison. The temperature dependence is also included through an asymptotic factor. The calculated dispersion curves do not differ from experimental values by more than 10% for both, Ca and Sr in both, f. c. c. and b. c. c. phases except at a few wave vectors near the zone boundary in the case of Ca(b. c. c). The binding energy and elastic constants are also calculated and compared with existing experimental data. Copyright © 1990 WILEY‐VCH Verlag GmbH & Co. KGaA
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收藏
页码：433 / 439
页数：7
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