Untersuchungen in den Dreistoffen: {Mo, W}?{Fe, Co, Ni}?B

Haschke, H.; Nowotny, H.; Benesovsky, F.

doi:10.1007/bf00902597

Cited by 62 publications

(12 citation statements)

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“…One more metastable phase predicted by Zhang et al 34 is hP10-MoB 4 (SG#194) (8 meV above the tie line in our database), energetically preferred over the previously reported hP20-MoB 4 188 phase, which is also dynamically unstable 34,35 . Finally, two polymorphs of MoB, the α tI16-MoB (SG#141) 9,189 phase and the high temperature β oS8-MoB-(SG#64) phase 190,191 , have been reported, which agrees with the stability of the former and the metastability of the latter (by 11 meV/atom) in our calculations. The most recent phase diagram for Mo-B is from Ref.…”

Section: Mo-bsupporting

confidence: 88%

“…The W-rich portion of the W-B system is well established in literature with tI12-W 2 B 30,41,80 and tI16-WB 30,80,186 reported both experimentally and theoretically. A β phase of WB, oS8 (SG#63), has also been reported 190 . The calculated stability of tI12-W 2 B (SG#140) and tI16-WB (SG#141) as well as the metastability of oS8-WB (SG#63) (by 13 meV/atom) are consistent with these experimental observations.…”

Section: W-bmentioning

confidence: 94%

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Stability of 41 metal–boron systems at 0GPa and 30GPa from first principles

Geest

Kolmogorov

2014

Calphad

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A multitude of observed boron-based materials have outstanding superconducting, mechanical, and refractory properties. Yet, the structure, the composition, and the very existence of some reported metal boride (M-B) compounds have been a subject of extensive debate. This density functional theory work seeks to set a baseline for current understanding of known metal boride phases as well as to identify new synthesizable candidates. We have generated a database of over 12,000 binary M-B entries for pressures of 0 and 30 GPa producing the largest scan of compositions and systems in this materials class. The 175 selected crystal structures include both observed prototypes and new ones found with our evolutionary ground state search. The metals considered are: Al, and Zr. Based on the formation energy calculated at zero pressure and temperature 4 new M-B phases or structures have been predicted, while a number of previously reported compounds have been shown to be unstable. At 30 GPa, changes in the convex hulls are expected to occur in 18 out of 41 M-B systems, which is used to indicate regions of the periodic table (for metal borides) that require further investigation from the community. Analysis of the collected information has revealed a nearly linear relationship between the magnetic moment per atom and the metal content for all the Fe-B, Co-B, and Ni-B structures within 0.15 eV/atom of the stability tie line. Both GGA-PBE and LDA-PW functionals were used to provide an understanding of the systematic error introduced by the choice of the exchange-correlation functional.arXiv:1310.4157v2 [cond-mat.mtrl-sci]

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Section: Mo-bsupporting

confidence: 88%

Section: W-bmentioning

confidence: 94%

Stability of 41 metal–boron systems at 0GPa and 30GPa from first principles

Geest

Kolmogorov

2014

Calphad

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“…The three-component phase B 2 FeMo 2 described by Gladyshevsky and coworkers [39] was also omitted as no thermodynamic data or stability ranges are available in the literature. Neither was the phase B 5 Fe 13 Mo 2 taken into consideration (Haschke and others [40]) because its occurrence had not been confirmed.…”

Section: Experimental Procedures and Discussionmentioning

confidence: 99%

Sintering Prealloyed Powders Fe-Ni-Cu-Mo Modified by Boron Base on Thermodynamic Investigations

Karwan-Baczewska¹,

Onderka²

2017

Powder Metallurgy - Fundamentals and Case Studies

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One of the methods to reduce porosity and increase mechanical properties of Fe-Ni-CuMo powder type is applying activated sintering with the boron powder. In the experiments, a diffusion bonded prealloyed powder type Distaloy SA (Fe-1.75%, Ni-1.5%, Cu-0.5%, Mo) was used alloyed by 0.2, 0.4, and 0.6 mas.% elemental boron powder with the addition of 0.8 mas.% of zinc stearate lubricant. Powders were 15 min blended, compacted and then sintered. The sintering process was elaborated in detail based on microstructure investigations and thermodynamic analysis, which showed that the liquid phase has to be formed as a result of eutectic reaction between matrix elements (Fe, Mo, Ni) and mixed boride (Fe, Mo, Ni) 2 B. In alloys with boron excess, the liquid phase may occur already a 1176°C in conformity with the reaction: L ↔ γ-Fe + Fe 2 B. Its quantity is increased with liquid solution formed in the eutectic reaction running between boron and copper at 1027°C. If the system tends to be in equilibrium, the chemical composition of the liquid solution should be shifted toward higher Fe levels.

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“…A number of structure types are known that contain infinite zigzag chains of groups IIIA−VA elements. These include the structure types CrB, − FeB, ,, MoB, ,, ZrSi 2 , ,− CeNiSi 2 , ,, SmNiGe 3 , β-ZrSb 2 , , HoSb 2 , , CaSb 2 , ,− and CeAsS. − …”

Section: Introductionmentioning

confidence: 99%

“…6 A number of structure types are known that contain infinite zigzag chains of groups IIIA-VA elements. These include the structure types CrB, 7-10 FeB, 7,8,11 MoB, 7,12,13 ZrSi 2 , 7, [14][15][16] CeNiSi 2 , 7,17,18 SmNiGe 3 , 19 β-ZrSb 2 , 20,21 HoSb 2 , 22,23 CaSb 2 , 7, [24][25][26] and CeAsS. [27][28][29] Consider now infinite zigzag chains of group VA atoms.…”

Section: Introductionmentioning

confidence: 99%

Syntheses, Structures, and Physical Properties of LnAsTe (Ln = La, Pr, Sm, Gd, Dy, Er)

et al. 2000

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Six rare-earth arsenic tellurides have been synthesized by the reactions of the rare-earth elements (Ln) with As and Te at 1123 K. LaAsTe (a = 7.8354(11) A, b = 4.1721(6) A, c = 10.2985(14) A, T = 153 K), PrAsTe (a = 7.728(2) A, b = 4.1200(11) A, c = 10.137(3) A, T = 153 K), SmAsTe (a = 7.6180(16) A, b = 4.0821(9) A, c = 9.991(2) A, T = 153 K), GdAsTe (a = 7.5611(15) A, b = 4.0510(8) A, c = 9.920(2) A, T = 153 K), DyAsTe (a = 7.4951(13) A, b = 4.0246(7) A, c = 9.8288(17) A, T = 153 K), and ErAsTe (a = 7.4478(1) A, b = 4.0078(1) A, c = 9.7552(2) A, T = 153 K) crystallize with four formula units in the orthorhombic space group D2h16-Pnma. These compounds are isostructural and belong to the beta-ZrSb2 structure type. In each compound, the Ln atoms are coordinated by a tricapped trigonal prism of four As atoms and five Te atoms. The entire three-dimensional structure is built up by the motif of the LnAs4Te5 tricapped trigonal prisms. Infinite nonalternating zigzag As chains are found along the b axis, with As-As distances in these compounds ranging from 2.5915(5) to 2.6350(9) A. Conductivity measurements in the direction of these As chains indicate that PrAsTe is metallic whereas SmAsTe and DyAsTe are weakly metallic. Antiferromagnetic transitions occur in SmAsTe and DyAsTe at 3 and 9 K, respectively. DyAsTe above 9 K follows the Curie-Weiss law.

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Untersuchungen in den Dreistoffen: {Mo, W}?{Fe, Co, Ni}?B

Cited by 62 publications

References 0 publications

Stability of 41 metal–boron systems at 0GPa and 30GPa from first principles

Stability of 41 metal–boron systems at 0GPa and 30GPa from first principles

Sintering Prealloyed Powders Fe-Ni-Cu-Mo Modified by Boron Base on Thermodynamic Investigations

Syntheses, Structures, and Physical Properties of LnAsTe (Ln = La, Pr, Sm, Gd, Dy, Er)

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