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Cohesive Energies, Equation of State, and Thermoelastic Properties of Mixed Alkali Halide Crystals
Author(s) -
Dixit S.,
Niwas R.
Publication year - 1990
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.2221610213
Subject(s) - thermoelastic damping , halide , equation of state , van der waals force , thermodynamics , alkali metal , range (aeronautics) , isothermal process , van der waals radius , van der waals equation , isentropic process , volume (thermodynamics) , materials science , chemistry , physics , quantum mechanics , thermal , molecule , inorganic chemistry , composite material
The cohesive energies and equations of state describing the pressure‐volume relations are studied for nine systems of mixed alkali halide crystals for the entire range of composition. The Harrison analytical potential form for the overlap repulsive energy derived from quantum mechanical considerations is used to describe the nearest neighbour as well as next neighbour interactions. The long‐range electrostatic and the short‐range van der Waals interactions are also considered in the potential model. The thermoelastic properties such as the Grüneisen parameter and its volume derivative, isothermal and isentropic Anderson parameters are also calculated and reported. The results are discussed and compared with experimental data.