Solid solubility by anti-site atoms in the C36-TiCr2 Laves phase revealed by single-crystal X-ray diffractometry

Baumann, Wolfgang; Leineweber, Andreas

doi:10.1016/j.jallcom.2010.06.117

Cited by 11 publications

(8 citation statements)

References 26 publications

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“…This result is consistent with the investigation of Ref. [27] where anti-site defect of Mg on Zn2 site is observed under Mg-rich condition, evidently differing from the earlier result reported by Paufler et al [26] who showed the existence of Zn vacancy on the Mg-rich side of the homogeneity range for MgZn 2 .…”

Section: Formation Energy Of Point Defectsupporting

confidence: 90%

“…1 that with decreasing the chemical potential of Mg atom to moderate Mg-rich condition and simultaneously increasing the chemical potential of Zn, the defect formation energy of Zn2 vacancy is lower than the formation energy of anti-site defect Mg Zn2 , so defect of V Zn2 becomes favorable under moderate Mg-rich condition, consistent with previous experimental result by Paufler et al [26]. The different experimental findings may originate from the difference in chemical potential of experimental environment.…”

Section: Formation Energy Of Point Defectsupporting

confidence: 87%

“…However, the study of point defect structure in MgZn 2 Laves phase is very scarce. It is noted that the constitutional vacancies on Zn sublattices in MgZn 2 was suggested in experimental study by Paufler et al [26], while Andersson et al [27] reported the anti-site substitutions in MgZn 2 under both the Zn-rich and Mg-rich conditions. The differences of experimental results promote us to comprehensively investigate the point defect in MgZn 2 alloy, so the present study would be necessary and valuable.…”

Section: Introductionmentioning

confidence: 94%

“…C14 MgZn 2 Laves phase belongs to the family of topologically close-packed (TCP) structures, and Mg and Zn atom sites possess a coordination number of 16 (4 Mg and 12 Zn atoms) and 12 (6 Mg and 6 Zn atoms), respectively [26]. In this high atomic coordination number and high density structure, the atomic geometry will influence the point defect structure, so the local geometry of firstnearest neighbor around the defect is further studied.…”

Section: The Locally Geometrical Structurementioning

confidence: 99%

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First-principles study of point defects in C14 MgZn2 Laves phase

Shao

Shi

Zheng

et al. 2016

Journal of Alloys and Compounds

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Section: Formation Energy Of Point Defectsupporting

confidence: 90%

Section: Formation Energy Of Point Defectsupporting

confidence: 87%

Section: Introductionmentioning

confidence: 94%

Section: The Locally Geometrical Structurementioning

confidence: 99%

See 2 more Smart Citations

First-principles study of point defects in C14 MgZn2 Laves phase

Shao

Shi

Zheng

et al. 2016

Journal of Alloys and Compounds

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“…Table 2 Overview on publications dealing with the type of constitutional point defects in binary transition metal Laves phases AB 2 with B being an element of the 3d series and A a group-IV/V transition metal [147] dens, both [148]; theo, both [149,150] ? dens, both [151,152]; theo, both [103] ?…”

Section: Thermal Point Defectsmentioning

confidence: 99%

Laves phases: a review of their functional and structural applications and an improved fundamental understanding of stability and properties

2020

Self Cite

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Laves phases with their comparably simple crystal structure are very common intermetallic phases and can be formed from element combinations all over the periodic table resulting in a huge number of known examples. Even though this type of phases is known for almost 100 years, and although a lot of information on stability, structure, and properties has accumulated especially during the last about 20 years, systematic evaluation and rationalization of this information in particular as a function of the involved elements is often lacking. It is one of the two main goals of this review to summarize the knowledge for some selected respective topics with a certain focus on non-stoichiometric, i.e., non-ideal Laves phases. The second, central goal of the review is to give a systematic overview about the role of Laves phases in all kinds of materials for functional and structural applications. There is a surprisingly broad range of successful utilization of Laves phases in functional applications comprising Laves phases as hydrogen storage material (Hydraloy), as magneto-mechanical sensors and actuators (Terfenol), or for wear- and corrosion-resistant coatings in corrosive atmospheres and at high temperatures (Tribaloy), to name but a few. Regarding structural applications, there is a renewed interest in using Laves phases for creep-strengthening of high-temperature steels and new respective alloy design concepts were developed and successfully tested. Apart from steels, Laves phases also occur in various other kinds of structural materials sometimes effectively improving properties, but often also acting in a detrimental way.

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Laves phases: superstructures induced by coloring and distortions

Gießelmann

Pöttgen

Janka

2023

Zeitschrift anorg allge chemie

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The structural chemistry of Laves phases, especially with respect to their superstructures induced by coloring and distortions is discussed. Starting from the three classical Laves phases MgCu2, MgZn2 and MgNi2, the more complex Komura phases are derived. Different possibilities of their description are summarized. In the second part, the superstructures are discussed based on their respective prototypes. The crystal chemical relationships are illustrated based on group‐subgroup descriptions using the Bärnighausen formalism.

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Solid solubility by anti-site atoms in the C36-TiCr2 Laves phase revealed by single-crystal X-ray diffractometry

Cited by 11 publications

References 26 publications

First-principles study of point defects in C14 MgZn2 Laves phase

First-principles study of point defects in C14 MgZn2 Laves phase

Laves phases: a review of their functional and structural applications and an improved fundamental understanding of stability and properties

Laves phases: superstructures induced by coloring and distortions

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