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Dielectric and anharmonic behaviour of silver halides, thallous halides, alkaline earth fluorides, and lead fluoride crystals
Author(s) -
Shanker J.,
Sundaraj R.
Publication year - 1983
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2221150107
Subject(s) - dielectric , anharmonicity , halide , antibonding molecular orbital , chemistry , condensed matter physics , fluoride , lattice energy , alkaline earth metal , materials science , thermodynamics , computational chemistry , inorganic chemistry , alkali metal , crystal structure , crystallography , physics , quantum mechanics , organic chemistry , electron , optoelectronics , atomic orbital
An analysis is made of the dielectric behaviour and the anharmonic contribution to the dielectric constants of AgCl, AgBr, TlCl, TlBr, CaF 2 , SrF 2 , BaF 2 , and PbF 2 crystals. The volume and temperature derivatives of static and electronic dielectric constants, and of the energy gap between bonding and antibonding states are derived from the experimental data using Phillips‐Van Vechten dielectric theory. The temperature derivatives of dielectric constants at constant volumes are used to estimate the magnitudes of anharmonic contributions. The effect of anharmonicity is discussed in terms of different theories. The volume derivatives of static dielectric constant are calculated using the Born‐Meyer theory of interionic potentials. The calculated quantities are compared with available experimental data. The applicability of the Mott‐Littleton theory of dielectric polarization is also discussed for the crystals under study.