Zr2SeB and Hf2SeB: Two new MAB phase compounds with the Cr2AlC-type MAX phase (211 phase) crystal structures

doi:10.1007/s40145-022-0646-7

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	Zr2SeB and Hf2SeB: Two new MAB phase compounds with the Cr2AlC-type MAX phase (211 phase) crystal structures
	Zhang,Qiqiang 1; Zhou,Yanchun 2; San,Xingyuan 3; Li,Wenbo 3; Bao,Yiwang 4; Feng,Qingguo 1; Grasso,Salvatore 1; Hu,Chunfeng 1
通讯作者	Zhou,Yanchun(yczhou@alum.imr.ac.cn) ; Hu,Chunfeng(chfhu@live.cn)
	2022-11-05
发表期刊	Journal of Advanced Ceramics
ISSN	2226-4108
卷号	11 期号:11
摘要	AbstractThe ternary or quaternary layered compounds called MAB phases are frequently mentioned recently together with the well-known MAX phases. However, MAB phases are generally referred to layered transition metal borides, while MAX phases are layered transition metal carbides and nitrides with different types of crystal structure although they share the common nano-laminated structure characteristics. In order to prove that MAB phases can share the same type of crystal structure with MAX phases and extend the composition window of MAX phases from carbides and nitrides to borides, two new MAB phase compounds Zr2SeB and Hf2SeB with the Cr2AlC-type MAX phase (211 phase) crystal structure were discovered by a combination of first-principles calculations and experimental verification in this work. First-principles calculations predicted the stability and lattice parameters of the two new MAB phase compounds Zr2SeB and Hf2SeB. Then they were successfully synthesized by using a thermal explosion method in a spark plasma sintering (SPS) furnace. The crystal structures of Zr2SeB and Hf2SeB were determined by a combination of the X-ray diffraction (XRD), scanning electron microscopy (SEM), and high-resolution transmission electron microscopy (HRTEM). The lattice parameters of Zr2SeB and Hf2SeB are a = 3.64398 ?, c = 12.63223 ? and a = 3.52280 ?, c = 12.47804 ?, respectively. And the atomic positions are M at 4f (1/3, 2/3, 0.60288 [Zr] or 0.59889 [Hf]), Se at 2c (1/3, 2/3, 1/4), and B at 2a (0, 0, 0). And the atomic stacking sequences follow those of the Cr2AlC-type MAX phases. This work opens up the composition window for the MAB phases and MAX phases and will trigger the interests of material scientists and physicists to explore new compounds and properties in this new family of materials.
关键词	Zr2SeB and Hf2SeB MAB phase MAX phase first-principles calculations thermal explosion synthesis
DOI	10.1007/s40145-022-0646-7
语种	英语
WOS记录号	BMC:10.1007/s40145-022-0646-7
出版者	Tsinghua University Press
引用统计
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/175258
专题	中国科学院金属研究所
通讯作者	Zhou,Yanchun; Hu,Chunfeng
作者单位	1.Southwest Jiaotong University; Key Laboratory of Advanced Technologies of Materials, Ministry of Education, School of Materials Science and Engineering 2.Aerospace Research Institute of Materials & Processing Technology; Science and Technology on Advanced Functional Composite Laboratory 3.Hebei University; Hebei Key Lab of Optic-Electronic Information and Materials, College of Physics Science and Technology 4.China Building Materials Academy; State Key Laboratory of Green Building Materials
推荐引用方式 GB/T 7714	Zhang,Qiqiang,Zhou,Yanchun,San,Xingyuan,et al. Zr2SeB and Hf2SeB: Two new MAB phase compounds with the Cr2AlC-type MAX phase (211 phase) crystal structures[J]. Journal of Advanced Ceramics,2022,11(11).
APA	Zhang,Qiqiang.,Zhou,Yanchun.,San,Xingyuan.,Li,Wenbo.,Bao,Yiwang.,...&Hu,Chunfeng.(2022).Zr2SeB and Hf2SeB: Two new MAB phase compounds with the Cr2AlC-type MAX phase (211 phase) crystal structures.Journal of Advanced Ceramics,11(11).
MLA	Zhang,Qiqiang,et al."Zr2SeB and Hf2SeB: Two new MAB phase compounds with the Cr2AlC-type MAX phase (211 phase) crystal structures".Journal of Advanced Ceramics 11.11(2022).