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Mechanical, Thermophysical, and Ultrasonic Properties of Thermoelectric HfX2 (X = S, Se) Compounds
Shakti Pratap Singh,Gaurav Singh,A. K. Verma,A. K. Jaiswal,R. R. Yadav 대한금속·재료학회 2021 METALS AND MATERIALS International Vol.27 No.8
In the present study, ultrasonic and thermophysical behaviour of thermoelectric hexagonal structured HfX2(X = S, Se)compounds have been analysed by the theoretical evaluation of second and third order elastic constants (SOECs and TOECs)using many body interaction potential model. The computed SOECs have been used to determine the temperature dependentspecific heat, thermal energy density, elastic coupling constants, Grüneisen parameters, ultrasonic velocities, Debye averagevelocity, ultrasonic attenuation, and thermal relaxation time. We have observed that the temperature dependent ultrasonicattenuation and thermal relaxation time for HfX2are mainly affected by thermal conductivity. The elastic properties of thematerial are compared with existing data in literature for the validation of the work. The obtained values of elastic stiffnessare found very large in comparison to that of other material from transition metal dichalcogenides of group IVB indicatingbetter mechanical properties than the same group materials. Calculated elastic, thermal, and ultrasonic properties are correlatedfor better characterization of the materials which are useful for thermoelectric and energy transport applications.