Effective Potentials and Crystalline State Properties of Some Fluorite‐Structure Crystals
作者:
N. Dutt,
A. J. Kaur,
J. Shanker,
期刊:
physica status solidi (b)
(WILEY Available online 1986)
卷期:
Volume 137,
issue 2
页码: 459-468
ISSN:0370-1972
年代: 1986
DOI:10.1002/pssb.2221370207
出版商: WILEY‐VCH Verlag
数据来源: WILEY
摘要:
AbstractSeven different potential forms for the overlap repulsive energy proposed by various investigators as reported in the literature are examined for the fluorite‐structure crystals, viz. CaF2, SrF3, BaF2, PbF2, Sr(NO3)2, Ba(NO3), and Pb(NI3)2. A number of crystalline state properties such as cohesive energy, bulk modulus and its pressure derivatives, Grünesien und Anderson parameters, first and second order volume and pressure derivatives of dielectric constants are calculated using different potential functions. The results obtained are found to compare well with available experimental data, and also reveal the usefulness of the approach based on interionic potentials in predicting new resul
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