Unveiling the elastic, mechanical, and thermoacoustic properties of cubic YbAu compound

Comprehensive understanding of the structural, mechanical, electronic, and thermodynamic behavior of intermetallic compounds is vital for unlocking their technological potential. This work explores a systematic investigation of the physical properties of ytterbium gold (YbAu) along the crystallographic directions [Formula: see text], [Formula: see text], [Formula: see text] using the ultrasonic nondestructive evaluation technique employing the Born–Mayer theoretical model. The optimized structural parameters confirm the stability of YbAu and show good agreement with available literature. Elastic constants and derived moduli indicate that YbAu is mechanically stable and exhibits ductile behavior. Furthermore, the elastic anisotropy of the mechanical constants confirms the anisotropic nature of YbAu using the 3D surfaces. The second-order elastic constants along with density have been used to calculate ultrasonic velocities, thermophysical parameters and acoustic coupling constants which are further used to obtain thermoacoustic loss and Akhiezer loss in the temperature range 100–300 K. Overall, present study along with the comparative discussion with available results delivers the first comprehensive theoretical report on YbAu, offering fundamental understanding and guidance for future experimental investigations and potential applications of this material.