Crystal structure and formation mechanism of (Cr2/3Ti1/3)(3)A1C(2) MAX phase

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	Crystal structure and formation mechanism of (Cr2/3Ti1/3)(3)A1C(2) MAX phase
	Z. M. Liu; E. D. Wu; J. M. Wang; Y. H. Qian; H. M. Xiang; X. C. Li; Q. Q. Jin; G. G. Sun; X. P. Cheng; J. Y. Wang; M. S. Li
	2014
发表期刊	Acta Materialia
ISSN	1359-6454
卷号	73 页码:186-193
摘要	The crystal structure of the newly synthesized quaternary MAX phase (Cr2/3Ti1/3)(3)A1C(2) was systematically characterized by various techniques. The space group of (Cr2/3Ti1/3)(3)A1C(2) is determined to be P6(3)/mmc by a combination of selected-area and convergent-beam electron diffraction techniques. Rietveld refinements of the neutron diffraction and X-ray diffraction data show that in (Cr2/3Ti1/3)(3)A1C(2), Ti and Cr are ordered with Ti in the 2a and Cr in the 4f Wyckoff sites of a M(3)AX(2) lattice. It is interesting to find that when the order of the magnetic moment of Cr atoms is considered, the ferromagnetic configuration of (Cr2/3Ti1/3)(3)A1C(2) becomes the ground state. Meanwhile, the Raman-active mode wavenumbers of (Cr2/3Ti1/3)(3)A1C(2) were calculated, and the theoretical data are quite consistent with the experimental data, further proving the ordered crystal structure of this phase. The formation of (Cr2/3Ti1/3)(3)A1C(2) with a unique crystal structure may be related to the distinctly different electronegativities and covalent radii of Cr and Ti atoms. (C) 2014 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
部门归属	[liu, zhimou ; wu, erdong ; wang, jiemin ; qian, yuhai ; xiang, huimin ; li, xichao ; jin, qianqian ; wang, jingyang ; li, meishuan] chinese acad sci, inst met res, shenyang natl lab mat sci, shenyang 110016, peoples r china. [sun, guangai ; cheng, xiping] caep, inst nucl phys & chem, mianyang 621900, peoples r china. ; li, ms (reprint author), chinese acad sci, inst met res, shenyang natl lab mat sci, 72 wenhua rd, shenyang 110016, peoples r china. ; mshli@imr.ac.cn
关键词	Max Phase Layered Structures Neutron Diffraction Raman Spectroscopy Ferromagnetic 1st-order Raman-scattering Situ Reaction Synthesis Al-c System m(n+1)Ax(n) Phases Microstructural Characterization Solid-solutions Ti3alc2 Ta4alc3 Ti4aln3 Nb4alc3
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语种	英语
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/73321
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	Z. M. Liu,E. D. Wu,J. M. Wang,et al. Crystal structure and formation mechanism of (Cr2/3Ti1/3)(3)A1C(2) MAX phase[J]. Acta Materialia,2014,73:186-193.
APA	Z. M. Liu.,E. D. Wu.,J. M. Wang.,Y. H. Qian.,H. M. Xiang.,...&M. S. Li.(2014).Crystal structure and formation mechanism of (Cr2/3Ti1/3)(3)A1C(2) MAX phase.Acta Materialia,73,186-193.
MLA	Z. M. Liu,et al."Crystal structure and formation mechanism of (Cr2/3Ti1/3)(3)A1C(2) MAX phase".Acta Materialia 73(2014):186-193.