Untersuchungen an Legierungen des Systems Zink-Titan

Phase stability and cohesive properties of Ti–Zn intermetallics: First-principles calculations and experimental results

“…Chen et al [20] reported the crystallographic details of Ti 3 Zn 22 . Pietrokowsky [10] was the first to report the L1 2 structure of TiZn 3 , which was subsequently confirmed by others [11,12]. The structure of TiZn 2 [10] was tentatively designated as that of a C14-Laves phase, but in a subsequent work [11] the C14 structure was not verified, but rather confirmed its hexagonal symmetry only.…”

“…The structures of TiZn 10 is suspected to be distorted c-brass type [12], but the details are not known. The structures of TiZn 8 [17], TiZn 7 [3], TiZn 5 [11], and Ti 2 Zn 3 [17] are not known. Chen et al [20] reported the crystallographic details of Ti 3 Zn 22 .…”

“…The structure of TiZn 2 [10] was tentatively designated as that of a C14-Laves phase, but in a subsequent work [11] the C14 structure was not verified, but rather confirmed its hexagonal symmetry only. The structures of TiZn and Ti 2 Zn are reported to be cP2 [11] and tI6 [21,22], respectively.…”

“…The primary reasons for such a systematic study are: (i) as mentioned in the Introduction, the presence of bcc-and fcc-based ordered structures in the equilibrium phase diagram and (ii) crystallographic details of some phases are not known or in dispute. For example, the structure of TiZn 5 is not known [16], and while TiZn 2 was reported to be a C14-Laves phase [10], it was refuted in a subsequent investigation [11].…”

“…For this reason, recent experimental determination of Ti-Bi-Zn phase diagram [5,6], and experimental investigation and thermodynamic modeling of Sn-Ti-Zn [8] phase diagram have received particular attention. From an alloy theory perspective, at least two important features of the Ti-Zn equilibrium diagram are noteworthy, the presence of an fcc-based nearest-neighbor ordered phase L1 2 -TiZn 3 [9][10][11][12] and a bcc-based nearest-neighbor ordered phase B2-TiZn [11], despite the fact that both Ti and Zn have hcp structures in their ground state. These results warrant first-principles investigations of phase stability of Ti-Zn intermetallics.…”