Thermodynamic Grüneisen parameter and thermal expansion coefficient of B-SiC

Abstract

The purpose of this study is to calculate the thermodynamic Grüneisen
parameter γ as well as the volumetric thermal expansion coefficient α of
the cubic zinc-blende silicon carbide (β-SiC) compound by using the quasi-
harmonic Debye model. The details of the calculation method adopted here
are presented elsewhere (Silicon, 14(17), (2022) 6299 – 6309). Our findings
relative to both the Grüneisen parameter and the volumetric thermal
expansion coefficient refer to a decrease with increasing pressure in the
range from 0 to 60 GPa and an increase with increasing temperature in the
range from 0 to 1500 K, respectively. As the Grüneisen parameter is
associated with the phonon frequency distribution, it reduces as the pressure
increases and increases as the temperature rises. At zero pressure and T =
300 K, our predicted value of the Grüneisen parameter is around 1.82, while
at p = 0 and T = 1500 K, it reaches the value of 1.95.