AI Chat Paper
Note: Please note that the following content is generated by AMiner AI. SciOpen does not take any responsibility related to this content.
{{lang === 'zh_CN' ? '文章概述' : 'Summary'}}
{{lang === 'en_US' ? '中' : 'Eng'}}
Chat more with AI
Powered by AMiner. Clicking this button will take you away from SciOpen.
Home Journal of Advanced Ceramics Article
PDF (7.5 MB)
Cite
EndNote(RIS) BibTeX
Collect
Submit Manuscript AI Chat Paper
Show Outline
Outline
Show full outline
Hide outline
Outline
Show full outline
Hide outline
Research Article | Open Access

Crystal structure determination of nanolaminated Ti5Al2C3 by combined techniques of XRPD, TEM and ab initio calculations

Hui ZHANGa,b, Xiaohui WANGa, Yonghui MAa, Luchao SUNa,b, Liya ZHENGa,b, Yanchun ZHOUc,*( )
Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, 72 Wenhua Road, Shenyang 110016, China
Graduate School of Chinese Academy of Sciences, Beijing 100039, China
Science and Technology on Advanced Functional Composite Laboratory, Aerospace Research Institute of Materials & Processing Technology, No.1 South Dahongmen Road, Beijing 100076, China
Show Author Information

Abstract

Crystal structure of Ti5Al2C3 was determined by means of X-ray powder diffraction (XRPD), transmission electron microscopy (TEM) and ab initio calculations. In contrast to the already known P63/mmc space group that the MAX phases crystallize, it was demonstrated that the R 3¯m space group could better satisfy the experimental data. The lattice parameters are a = 0.305 64 nm, c = 4.818 46 nm in a hexagonal unit cell.

Keywords

Ti5Al2C3crystal structurelayered carbidestransmission electron microscopy (TEM)

References

[1]
Wang XH, Zhou YC. Layered machinable and electrically conductive Ti2AlC and Ti3AlC2 ceramics: A review. J Mater Sci Technol 2010, 26:385-416.
Crossref Google Scholar
[2]
Barsoum MW. The MN+1AXN phases: A new class of solids; thermodynamically stable nanolaminates. Prog Solid State Chem 2000, 28:201-281.
Crossref Google Scholar
[3]
Eklund P, Beckers M, Jansson U, et al. The Mn + 1AXn phases: Materials science and thin-film processing. Thin Solid Films 2010, 518:1851-1878.
Crossref Google Scholar
[4]
Palmquist JP, Li S, Persson POA, et al. Mn+1AXn phases in the Ti-Si-C system studied by thin-film synthesis and ab initio calculations. Phys Rev B 2004, 70:165401.
Crossref Google Scholar
[5]
Högberg H, Eklund P, Emmerlich J, et al. Epitaxial Ti2GeC, Ti3GeC2, and Ti4GeC3 MAX-phase thin films grown by magnetron sputtering. J Mater Res 2005, 20:779-782.
Crossref Google Scholar
[6]
Wilhelmsson O, Palmquist JP, Lewin E, et al. Deposition and characterization of ternary thin films within the Ti-Al-C system by DC magnetron sputtering. J Cryst Growth 2006, 291:290-300.
Crossref Google Scholar
[7]
Zhou YC, Meng FL, Zhang J. New MAX-phase compounds in the V-Cr-Al-C system. J Am Ceram Soc 2008, 91:1357-1360.
Crossref Google Scholar
[8]
Wang XH, Zhang H, Zheng LY, et al. Ti5Al2C3: A New ternary carbide belonging to MAX phases in the Ti-Al-C system. J Am Ceram Soc 2012, 95:1508-1510.
Crossref Google Scholar
[9]
Lane N, Naguib M, Lu J, et al. Structure of a new bulk Ti5Al2C3 MAX phase produced by the topotactic transformation of Ti2AlC. J Eur Ceram Soc 2012, 32:3485-3491.
Crossref Google Scholar
[10]
Lane N, Naguib M, Lu J, et al. Comment on “Ti5Al2C3: A new ternary carbide belonging to MAX phases in the Ti-Al-C system. J Am Ceram Soc 2012, 90:3352-3354.
Crossref Google Scholar
[11]
Mikhalenko SI, Kuz'ma YB, Popov VE, et al. New ternary carbides ZrAlC2-x and HfAlC2-x and their crystal structure. Inorg Mater 1979, 15:1532-1535.
Google Scholar
[12]
Schuster JC, Nowotny H. Investigations of the ternary systems (Zr, Hf, Nb, Ta)-Al-C and studies on complex carbides. Z Metallkd 1980, 71:341-346.
Crossref Google Scholar
[13]
Parthé E, Chabot B. Zr2Al3C5-x and Hf2Al3C5-x described with higher symmetrical space group P63/mmc. Acta Crystallogr 1988, 44:C774-C775.
Crossref Google Scholar
[14]
Gesing TM, Jeitschko W. The crystal structures of Zr3Al3C5, ScAl3C3, and UAl3C3 and their relation to the structure of U2Al3C4 and Al4C3. J Solid State Chem 1998, 140:396-401.
Google Scholar
[15]
Lin ZJ, Zhuo MJ, He LF, et al. Atomic scale microstructures of Zr2Al3C4 and Zr3Al3C5 ceramics. Acta Mater 2006, 54:3843-3851.
Crossref Google Scholar
[16]
Wang XH, Zhou YC. Solid-liquid reaction synthesis and simultaneous densification of polycrystalline Ti2AlC. Z Metallkd 2002, 93:66-71.
Crossref Google Scholar
[17]
Wang XH, Zhou YC. Solid-liquid reaction synthesis of layered machinable Ti3AlC2 ceramic. J Mater Chem 2002, 12:455-460.
Crossref Google Scholar
[18]
Segall MD, Lindan PJD, Probert MJ, et al. First-principles simulation: Ideas, illustrations and the CASTEP code. J Phys Condens Matter 2002, 14:2717-2744.
Crossref Google Scholar
[19]
Pack JD, Monkhorst HJ. Special points for brillouin-zone integrations: A reply. Phys Rev B 1997, 16:1748-1749.
Crossref Google Scholar
[20]
Vanderbilt D. Soft self-consistent pseudopotentials in a generalized eigenvalue formalism. Phys Rev B 1990, 41:7892-7895.
Crossref Google Scholar
[21]
Perdew JP, Chevary JA, Vosko SH, et al. Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and coorelation. Phys Rev B 1992, 46:6671-6687.
Crossref Google Scholar
[22]
Fischer TH, Almlof J. General methods for geometry and wave function optimization. J Phys Chem 1992, 96:9768-9774.
Crossref Google Scholar
[23]
Williams DB, Carter CB. Transmission Electron Microscopy: A Textbook for Materials Science. Beijing (China):Tsinghua University Press, 2007.
[24]
Morniroli JP, Steeds JW. Microdiffraction as a tool for crystal structure identification and determination. Ultramicroscopy 1992, 45:219-239.
Crossref Google Scholar
Journal of Advanced Ceramics
Volume 1 Issue 4,
December 2012
Pages 268-273
DOI: 10.1007/s40145-012-0034-9
Cite this article:
ZHANG H, WANG X, MA Y, et al. Crystal structure determination of nanolaminated Ti5Al2C3 by combined techniques of XRPD, TEM and ab initio calculations. Journal of Advanced Ceramics, 2012, 1(4): 268-273. https://doi.org/10.1007/s40145-012-0034-9

1014

Views

41

Downloads

20

Crossref

N/A

Web of Science

22

Scopus

0

CSCD

Altmetrics
Received: 23 November 2012
Accepted: 27 November 2012
Published: 09 January 2013
© The author(s) 2012
Return