Exploring the Structural Complexity of Intermetallic Compounds by an Adaptive Genetic Algorithm

Zhao, Xin; Nguyen, Manh Cuong; Zhang, Wenyong; Wang, C Z; Kramer, M. J.; Sellmyer, David J.; Li, Xingzhong; Zhang, F; Ke, Liqin; Antropov, Vladimir; Ho, Kai‐Ming

doi:10.1103/physrevlett.112.045502

Cited by 104 publications

(79 citation statements)

References 29 publications

(34 reference statements)

Supporting

Mentioning

Contrasting

Order By: Relevance

“…[1][2][3][4][5] Alloys with the approximate stoichiometry Zr 2 Co 11 crystallize in cubic, orthorhombic, and rhombohedral structures, but only the rhombohedral phase, which is predicted to be metastable by formation-energy calculations, leads to significant coercivity. 3,5,6 The structures are basically dense-packed, with structural motifs reminiscent of that in SmCo 5 . 6 Rhombohedral Zr 2 Co 11 is a high-temperature phase, whereas the orthorhombic phase is more stable at low temperatures.…”

Section: Introductionmentioning

confidence: 96%

“…3,5,6 The structures are basically dense-packed, with structural motifs reminiscent of that in SmCo 5 . 6 Rhombohedral Zr 2 Co 11 is a high-temperature phase, whereas the orthorhombic phase is more stable at low temperatures. Rhombohedral Zr 2 Co 11 can therefore be produced by quenching the molten mixture so long as the quench rate is sufficiently high.…”

Section: Introductionmentioning

confidence: 96%

See 1 more Smart Citation

Effect of boron doping on nanostructure and magnetism of rapidly quenched Zr2Co11-based alloys

et al. 2016

View full text Add to dashboard Cite

The role of B on the microstructure and magnetism of Zr16Co82.5-xMo1.5Bx ribbons prepared by arc melting and melt spinning is investigated. Microstructure analysis show that the ribbons consist of a hard-magnetic rhombohedral Zr2Co11 phase and a minor amount of soft-magnetic Co. We show that the addition of B increases the amount of hard-magnetic phase, reduces the amount of soft-magnetic Co and coarsens the grain size from about 35 nm to 110 nm. There is a monotonic increase in the volume of the rhombohedral Zr2Co11 unit cell with increasing B concentration. This is consistent with a previous theoretical prediction that B may occupy a special type of large interstitial sites, called interruption sites. The optimum magnetic properties, obtained for x = 1, are a saturation magnetization of 7.8 kG, a coercivity of 5.4 kOe, and a maximum energy product of 4.1 MGOe.

show abstract

Section: Introductionmentioning

confidence: 96%

Section: Introductionmentioning

confidence: 96%

Effect of boron doping on nanostructure and magnetism of rapidly quenched Zr2Co11-based alloys

et al. 2016

View full text Add to dashboard Cite

show abstract

“…The Zr 2 Co 11 intermetallic compound and its magnetic properties have been studied since 1990 [1][2][3][4][5][6][7][8][9][10][11]. Since rare-earth-free permanent-magnets have gained immense focus from the viewpoint of mitigating the critical-material aspects of rare-earth elements, the Zr 2 Co 11 intermetallic compound is considered as one of the promising candidates due to the strong magnetocrystalline anisotropy energy of 1.1 J cm À3 and high Curie temperature of about 500°C [3,4].…”

Section: Introductionmentioning

confidence: 99%

“…Since rare-earth-free permanent-magnets have gained immense focus from the viewpoint of mitigating the critical-material aspects of rare-earth elements, the Zr 2 Co 11 intermetallic compound is considered as one of the promising candidates due to the strong magnetocrystalline anisotropy energy of 1.1 J cm À3 and high Curie temperature of about 500°C [3,4]. Intensive studies were aimed at understanding and improving the magnetic properties of Zr 2 Co 11 and related compounds [5,6 and references cited therein] but only a few studies focused on the crystal structures of the Zr 2 Co 11 compound [7][8][9][10][11]. The crystal structure of the Zr 2 Co 11 intermetallic compound was studied by Demczyk and Cheng [7] using the combination of SAED and convergent-beam electron diffraction (CBED) methods.…”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Orthorhombic Zr2Co11 phase revisited

Zhang

Sellmyer

et al. 2014

Journal of Alloys and Compounds

Self Cite

View full text Add to dashboard Cite

a b s t r a c tThe structure of the orthorhombic Zr 2 Co 11 phase was revisited in the present work. Selected-area electron diffraction (SAED) and high-resolution electron microscopy (HREM) techniques were used to investigate the structure. They show the orthorhombic Zr 2 Co 11 phase has a 1-D incommensurate modulated structure. The structure can be approximately described as a B-centered orthorhombic lattice. The lattice parameters of the orthorhombic Zr 2 Co 11 phase have been determined by a tilt series of SAED patterns. A hexagonal network with a modulation wave has been observed in the HREM image and the hexagonal motif is considered as the basic structural unit.

show abstract

Computationally Driven Discovery of a Family of Layered LiNiB Polymorphs

et al. 2019

View full text Add to dashboard Cite

Tw on ovel lithium nickel boride polymorphs,R T-LiNiB and HT-LiNiB,w ith layered crystal structures are reported. This family of compounds was theoretically predicted by using the adaptive genetic algorithm (AGA) and subsequently synthesized by ahydride route with LiH as the lithium source.U nique among the knownt ernary transition-metal borides,the LiNiB structures feature Li layers alternating with nearly planar [NiB] layers composed of Ni hexagonal rings with aB -B pair at the center.Acomprehensive study using ac ombination of single crystal/synchrotron powder X-ray diffraction, solid-state 7 Li and 11 BNMR spectroscopy, scanning transmission electron microscopy, quantum-chemical calculations,a nd magnetism has shed light on the intrinsic features of these polymorphic compounds.The unique layered structures of LiNiB compounds make them ultimate precursors for exfoliation studies,t hus paving aw ay toward twodimensional transition-metal borides,MBenes.

show abstract

Exploring the Structural Complexity of Intermetallic Compounds by an Adaptive Genetic Algorithm

Cited by 104 publications

References 29 publications

Effect of boron doping on nanostructure and magnetism of rapidly quenched Zr2Co11-based alloys

Effect of boron doping on nanostructure and magnetism of rapidly quenched Zr2Co11-based alloys

Orthorhombic Zr2Co11 phase revisited

Computationally Driven Discovery of a Family of Layered LiNiB Polymorphs

Contact Info

Product

Resources

About