On the ternary Laves phases {Sc,Ti}2M3Si (M=Cr, Mn, Fe, Co, Ni) with MgZn2-type

Yan, Xinlin; Chen, Xing-Qiu; Grytsiv, A.; Witusiewicz, V.T.; Rogl, P.; Podloucky, R.; Giester, Gerald

doi:10.1016/j.jallcom.2006.03.086

Cited by 22 publications

(10 citation statements)

References 36 publications

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“…The experimental results are then further analyzed by ab initio density functional (DFT) calculation, a combination of techniques, which was quite successful in similar studies. The present paper continues our previous work on ternary Laves phases of the systems TieFeeAl [17], {Sc, Ti}eMeSi (M ¼ Cr, Mn, Fe, Co, Ni) [18], TieNieAl [19] and TieMneAl [20], and on a series of binary Laves phases [21e25].…”

Section: Introductionsupporting

confidence: 68%

Crystal structure, phase stability and elastic properties of the Laves phase ZrTiCu2

et al. 2008

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Section: Introductionsupporting

confidence: 68%

Crystal structure, phase stability and elastic properties of the Laves phase ZrTiCu2

et al. 2008

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“…18 in Table 2) annealed for 8 h at 1673 K. The method is well described in Refs. [33,34] and involves the determination of the enthalpy of dissolution of pure solid Al, Nb, Ti as well as that of the alloy in liquid Ni at 1773 ± 5 K by drop isoperibolic calorimetry. Using these data the partial enthalpy of dissolution of cold samples (298 K) in liquid Ni (1673 K) at infinite dilution ( dissH • i ) were evaluated by means of linear extrapolation to x Ni = 1.…”

Section: Standard Enthalpy Of Formationmentioning

confidence: 99%

The Al–B–Nb–Ti system

Witusiewicz

Bondar

Hecht

et al. 2009

Journal of Alloys and Compounds

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268

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“…This structure and composition differ from the one reported in the ICSD [30] database, where Co atoms are reported to occupy 6h, Mn atoms take 4f, and Ge occupies 2a atomic sites. It should be noted, that disorder of the type detected in our experiments is often observed in the related ternary Laves phases with MgZn 2 -type [45]. In this section, we, therefore, consider, from ab-initio alloy theory, the disorder of Co 3 Mn 2 Ge, in order to analyze the effect it has on the magnetic state of the material and to compare the results with the theoretical data obtained for the ordered structure.…”

Section: Disordered Co3mn2gementioning

confidence: 83%

Data-driven design of a new class of rare-earth free permanent magnets

Vishina¹,

Hedlund²,

Shtender³

et al. 2021

Preprint

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A new class of rare-earth-free permanent magnets is proposed. The parent compound of this class is Co3Mn2Ge, and its discovery is the result of first principles theory combined with experimental synthesis and characterisation. The theory is based on a high-throughput/data-mining search among materials listed in the ICSD database. From ab-initio theory of the defect free material it is predicted that the saturation magnetization is 1.71 T, the uniaxial magnetocrystalline anisotropy is 1.44 MJ/m 3 , and the Curie temperature is 700 K. Co3Mn2Ge samples were then synthesized and characterised with respect to structure and magnetism. The crystal structure was found to be the MgZn2-type, with partial disorder of Co and Ge on the crystallographic lattice sites. From magnetization measurements a saturation polarization of 0.86 T at 10 K was detected, together with a uniaxial magnetocrystalline anisotropy constant of 1.18 MJ/m 3 , and the Curie temperature of TC = 359 K. These magnetic properties make Co3Mn2Ge a very promising material as a rare-earth free permanent magnet, and since we can demonstrate that magnetism depends critically on the amount of disorder of the Co and Ge atoms, a further improvement of the magnetism is possible. From the theoretical works, a substitution of Ge by neighboring elements suggest two other promising materials -Co3Mn2Al and Co3Mn2Ga. We demonstrate here that the class of compounds based on T3Mn2X (T = Co or alloys between Fe and Ni; X=Ge, Al or Ga) in the MgZn2 structure type, form a new class of rare-earth free permanent magnets with very promising performance.

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On the ternary Laves phases {Sc,Ti}2M3Si (M=Cr, Mn, Fe, Co, Ni) with MgZn2-type

Cited by 22 publications

References 36 publications

Crystal structure, phase stability and elastic properties of the Laves phase ZrTiCu2

Crystal structure, phase stability and elastic properties of the Laves phase ZrTiCu2

The Al–B–Nb–Ti system

Data-driven design of a new class of rare-earth free permanent magnets

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