Standard enthalpies of formation of selected XYZ half-Heusler compounds

Abstract

The standard enthalpies of formation of selected ternary half-Heusler type compositions XYZ (X=Au, Co, Fe, Ir, Ni, Pd, Pt, Rh, Ru; Y=Hf, Mn, Ti, Zr; Z=Ga, Sn) were measured using high temperature direct reaction calorimetry. The measured standard enthalpies of formation (in kJ/mole of atoms) of the half-Heusler compounds (prototype MgAgAs, Pearson symbol cF12, space group F-43m) are, IrMnSn (−29.4±1.8); NiTiSn (−52.6±2.4); PtHfSn (−98.8±3.4); PtMnSn (−55.8±2.6); PtTiSn (−93.6±3.3); PtZrSn (−104.9±3.8); for the B2 compound (prototype CsCl, Pearson symbol cP2, space group Pm-3m), RuMnGa (−26.9±1.7); for the C1 structured (prototype CaF2, Pearson symbol cF12, space group Pm-3m) or the C1b structured compound IrMnGa (−40.9±1.7). Indicative standard enthalpies of formation of the following compounds were obtained, half-Heusler compounds AuMnSn, CoTiSn, IrZrSn, NiHfSn, NiZrSn, PdHfSn, PdZrSn, RhTiSn; Heusler compound (prototype Cu2MnAl, Pearson symbol cF16, space group Fm-3m) RhMnSn; hexagonal compound (prototype BeZrSi, Pearson symbol hP6, space group P63/mmc) PtMnGa and another type of hexagonal compound (prototype RhHfSn, Pearson symbol hP18, space group P-62c) RhHfSn, IrZrsn, RhZrSn. Values were compared with ab initio calculations from AFLOW and OQMD. Lattice parameters of these compounds were determined using X-ray diffraction (XRD) analysis. Microstructures were characterized using scanning electron microscopy (SEM) and energy dispersive spectroscopy (EDS). Selected alloys were further annealed to investigate phase transformations and phase relationships.