New Compounds of the Cl_b, Cl Types of IrMnSb and PdMnTe, New L2₁(Heusler) Type of Ir₂MnGa Alloys, and Magnetic Properties

Prediction of composition for stable half-Heusler phases from electronic-band-structure analyses

“…Masumoto et al reported only one composition value and conclusions on the homogeneity region can accordingly not be drawn. Turning to the corresponding Sb phase IrMnSb (21) where the anticipated deviation in composition is not as large as first expected owing to the fact that this phase is close to the HMF situation with VEC = 22 (Fig. 8(b)).…”

“…High purity elements were used as starting materials for the syntheses (Ti: Mackay 99.99%; Mn: Aldrich 99.98%; Co: Koch-Light Table 1 Experimental lattice parameters from the present study or literature data quoted from Refs. [1,3,7,13,21,28], the condition of optimum bonding (relative to E F ) according to COHP, and the composition or dominant composition ranges for the experimentally investigated phases VEC eq vec eq Phase XYZ (X 2 YZ) Powder X-ray diffraction (PXD) was used to confirm the presence of the desired half-Heusler phase with the characteristic AlLiSi-type structure. The data was also utilized to derive the lattice parameter (a) for the half-Heusler phases (and when relevant also for the full-Heusler phases) and to establish the possible presence of other phases.…”

“…Data for IrMnSn (20), IrMnSb (21), RhMnSb (21), and PtMnSn (21) are presented in Fig. 8 and data for PtMnSb and NiMnSb are presented and discussed in Section 4 since fresh experimental data have been collected for these phases.…”

“…The focus of these studies has not been on the stoichiometry of the phases, but rather concentrated on specific properties [12,[19][20][21] or trends in properties throughout the family [6,7,22,23]. Only a few of the ternary systems which contain half-Heusler phases have been systematically mapped in the form of phase diagrams [2,3,17], making it difficult to evince a qualified opinion on composition issues.…”

Electronic structure and chemical bonding in half-Heusler phases

“…[1,2,8,9,[37][38][39]) electronic classification according to calculations a , and calculated and experimental (quoted from Refs. [1,2,8,9,38,[40][41][42][43] density. All these tools have been used to explore the bonding properties.…”