Experimental and First-principle study of TmNiSb half-Heusler Alloy
The studied TmNiSb alloy crystallizes in the MgAgAs structure type (half-Heusler phases) and according to the results of DFT+U calculations revealed the presence of bandgap (Eg = 359 meV). Spin magnetic moment of Tm atoms equals 2.16 μB confirming its Tm3+ state. Calculated elastic properties as well as Vickers hardness of TmNiSb alloy was defined semi-empirically and equals 15.98 GPa. Experimentally determined microhardness is within the range of 2.90 – 4.06 GPa with the exception of TmNiSb phase.