Structural, mechanical and thermodynamic properties of AuIn2 crystal under pressure: A first-principles density functional theory calculation

The present results reveal that AuIn2 crystal demonstrates low elastic anisotropy, low hardness and high ductility. Furthermore, its heat capacity strictly follows the Debye T3-law at temperatures below the Debye temperature, and reaches the Dulong-Petit limit at temperatures far above the Debye temperature.