Equation of state, thermoelastic properties and melting curves of some intermetallic compounds LiBC, MgB2 and TiB2

Computational Condensed Matter(2022)

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摘要
The equation of state based on the approximation of Saxena et al. has been used to obtain thermoelastic properties such as the pressure-volume-temperature relationship, bulk modulus and its pressure derivative for some intermetallic compounds viz. LiBC, MgB2 and TiB2 up to a pressure of 200 GPa and temperature up to 2000 K. The model for density dependence of Debye frequency recently developed by Roy and Sarkar is used in the present study to determine melting curves of intermetallic compounds with the help of the Lindemann law of melting. The melting slope for TiB2 is found to be much lower than the melting slopes for LiBC and MgB2. The models used in the present study for determining thermoelastic properties and melting curves are based on simple analytical formulations. They are capable of making rapid estimations of the studied properties.
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关键词
Bulk modulus,Thermal pressure,Equation of state,Melting curves,Intermetallic compounds
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