Ultrasonic wave propagation in thermoelectric $\hbox {ZrX}_{2 }\,(\hbox {X} = \hbox {S}, \hbox {Se})$ compounds

Abstract

In the present work, we have calculated temperature-dependent second- and third-order elastic constants (SOECs and TOECs) of thermoelectric zirconium disulphide ($\hbox {ZrS}_{2})$ and zirconium diselenide ($\hbox {ZrSe}_{2})$ using a simple interaction potential model. SOECs have been used for the calculation of ultrasonic velocity along different orientations of propagation. Thermal relaxation time and ultrasonic attenuation have been determined with the help of SOECs and thermal conductivity. Temperature-dependent specific heat, thermal energy density, elastic coupling constants and Grüneisen parameters are also calculated using SOECs and other parameters. The dominating cause behind ultrasonic attenuation, in the temperature range of 300–900 K, is the interaction of acoustical phonon and lattice phonon. In the present study, we observed that the thermal conductivity and energy density play significant roles in ultrasonic attenuation. Ultrasonic velocity and attenuation are correlated with other thermophysical properties extracting important information about the quality and nature of the materials which are useful for industrial applications.