Layered stacking characteristics of ternary zirconium aluminum carbides


Layered stacking characteristics of ternary Zr–Al–C carbides were investigated using scanning transmission electron microscopy (STEM). Three previously unknown compounds, i.e., Zr4Al3C6, Zr5Al6C9, and Zr7Al6C11 were identified. The present study extends the structural information of ternary Zr–Al–C ceramics. The influence of the thickness of the NaCl-type Zr-C slab on the elastic properties of ternary Zr–Al–C ceramics is discussed based on first-principles calculations. In addition, direct atomic-resolution observations illustrate the process for forming the unique layered crystal structures of ternary Zr–Al–C ceramics. These results also provide insights into the formation mechanism of layered ternary Zr–Al–C carbides.

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  1. 1

    H. Nowotny S. Windisch: High temperature compounds. Annu. Rev. Mater. Sci. 3, 171 1973

    CAS  Article  Google Scholar 

  2. 2

    M.W. Barsoum: The MN+1AXN phases: a new class of solids: Thermodynamically stable nanolaminates. Prog. Solid State Chem. 28, 201 2000

    CAS  Article  Google Scholar 

  3. 3

    Z.J. Lin, M.S. Li Y.C. Zhou: TEM investigations on layered ternary ceramics. J. Mater. Sci. Technol. 23, 145 2007

    CAS  Article  Google Scholar 

  4. 4

    N.V. Tzenov M.W. Barsoum: Synthesis and characterization of Ti3AlC2. J. Am. Ceram. Soc. 83, 825 2000

    CAS  Article  Google Scholar 

  5. 5

    X.H. Wang Y.C. Zhou: Solid-liquid reaction synthesis of layered machinable Ti3AlC2 ceramic. J. Mater. Chem. 12, 455 2002

    CAS  Article  Google Scholar 

  6. 6

    X.H. Wang Y.C. Zhou: Microstructure and properties of Ti3AlC2 prepared by the solid-liquid reaction synthesis and simultaneous in-situ hot pressing process. Acta Mater. 50, 3141 2002

    CAS  Google Scholar 

  7. 7

    Z.J. Lin, M.J. Zhuo, Y.C. Zhou, M.S. Li J.Y. Wang: Microstructural characterization of layered ternary Ti2AlC. Acta Mater. 54, 1009 2006

    CAS  Article  Google Scholar 

  8. 8

    X.H. Wang Y.C. Zhou: High-temperature oxidation of Ti2AlC in air. Oxid. Met. 59, 303 2003

    CAS  Article  Google Scholar 

  9. 9

    Z.J. Lin, Y.C. Zhou, M.S. Li J.Y. Wang: In-situ hot pressing/solid-liquid reaction synthesis of bulk Cr2AlC. Z. Metallkd. 96, 291 2005

    CAS  Article  Google Scholar 

  10. 10

    Z.J. Lin, M.J. Zhuo, Y.C. Zhou, M.S. Li J.Y. Wang: Structural characterization of a new layered-ternary Ta4AlC3 ceramic. J. Mater. Res. 21, 2587 2006

    CAS  Article  Google Scholar 

  11. 11

    J.C. Schuster H. Nowotny: Investigations of the ternary systems (Zr, Hf, Nb, Ta)–Al–C and studies on complex carbides. Z. Metallkd. 71, 341 1980

    CAS  Google Scholar 

  12. 12

    E. Parthé B. Chabot: Zr2Al3C5–x and Hf2Al3C5–x described with higher symmetrical space group P63/mmc. Acta Crystallogr., Sect. C 44, 774 1988

    Article  Google Scholar 

  13. 13

    T.M. Gesing W. Jeitschko: The crystal structures of Zr3Al3C5, ScAl3C3, and UAl3C3 and their relation to the structure of U2Al3C4 and Al4C3. J. Solid State Chem. 140, 396 1998

    CAS  Article  Google Scholar 

  14. 14

    Z.J. Lin, M.J. Zhuo, L.F. He, Y.C. Zhou, M.S. Li J.Y. Wang: Atomic-scale microstructures of Zr2Al3C4 and Zr3Al3C5 ceramics. Acta Mater. 54, 3843 2006

    CAS  Article  Google Scholar 

  15. 15

    S. Hashimoto, A. Yamaguchi M. Yasuda: Fabrication and properties of novel composites in the system Al–Zr–C. J. Mater. Sci. 33, 4835 1998

    CAS  Article  Google Scholar 

  16. 16

    U. Leela-adisorn, S.M. Choi, S. Hashimoto, S. Honda, H. Awaji, K. Hayakawa A. Yamaguchi: Sintering and characterization of Zr2Al3C5 monolith. Key Eng. Mater. 317–318, 27 2006

    Article  Google Scholar 

  17. 17

    U. Leela-adisorn, S.M. Choi, T. Matsunaga, S. Hashimoto, S. Honda, K. Hayakawa, H. Awaji A. Yamaguchi: AlZrC2 synthesis. Ceram. Int. 32, 431 2006

    CAS  Article  Google Scholar 

  18. 18

    L.F. He, Y.C. Zhou, Y.W. Bao, J.Y. Wang M.S. Li: Synthesis and oxidation of Zr3Al3C5 powders. Inter. J. Mater. Res. 98, 3 2007

    CAS  Article  Google Scholar 

  19. 19

    J.Y. Wang, Y.C. Zhou, Z.J. Lin, T. Liao L.F. He: First-principles prediction of the mechanical properties and electrical structure of ternary aluminum carbide Zr3Al3C5. Phy. Rev. B 73, 134107 2006

    Article  Google Scholar 

  20. 20

    L.F. He, Y.C. Zhou, Y.W. Bao, Z.J. Lin J.Y. Wang: Synthesis, physical and mechanical properties of bulk Zr3Al3C5 ceramic. J. Am. Ceram. Soc. 90, 1164 2007

    CAS  Article  Google Scholar 

  21. 21

    J.P. Palmquist, S. Li, P.O.Å. Persson, J. Emmerlich, O. Wilhelmsson, H. Högberg, M.I. Katsnelson, B. Johansson, R. Ahuja, O. Eriksson, L. Hultman U. Jansson: Mn+1AXn phases in the Ti-Si-C system studied by thin film synthesis and ab initio calculations. Phys. Rev. B 70, 165401 2004

    Article  Google Scholar 

  22. 22

    M.D. Segall, P.J.D. Lindan, M.J. Probert, C.J. Pickard, P.J. Hasnip, S.J. Clark M.C. Payne: First-principles simulation: ideas, illustrations and the CASTEP code. J. Phys.: Condens. Matter 14, 2717 2002

    CAS  Google Scholar 

  23. 23

    D. Vanderbilt: Soft self-consistent pseudopotential in a generalized eignevalue formalism. Phys. Rev. B 41, R7892 1990

    Article  Google Scholar 

  24. 24

    J.P. Perdew, J.A. Chevary, S.H. Vosko, K.A. Jackson, M.R. Pederson, D.J. Singh C. Fiolhais: Atoms, molecules, solids, and surfaces-applications of the generalized gradient approximation for exchange and correlation. Phys. Rev. B 46, 6671 1992

    CAS  Article  Google Scholar 

  25. 25

    B.G. Pfrommer, M. Côté, S.G. Louie M.L. Cohen: Relaxation of crystals with the quasi-newton method. J. Comput. Phys. 131, 233 1997

    CAS  Article  Google Scholar 

  26. 26

    V. Milman M.C. Warren: Elasticity of hexagonal BeO. J. Phys.: Condens. Matter 13, 241 2001

    CAS  Google Scholar 

  27. 27

    J.Y. Wang, Y.C. Zhou, T. Liao Z.J. Lin: Trend in crystal structure of layered ternary T-Al-C carbides (T=Sc, Ti, V, Cr, Zr, Nb, Mo, Hf, W, and Ta). J. Mater. Res. 22(10), 2685 2007

    CAS  Article  Google Scholar 

  28. 28

    J.Y. Wang Y.C. Zhou: Dependence of elastic stiffness on electronic band structure of nanolaminate M2AlC (M=Ti, V, Nb, and Cr) ceramics. Phys. Rev. B 69, 214111 2004

    Article  Google Scholar 

  29. 29

    Z.J. Lin, M.J. Zhuo, Y.C. Zhou, M.S. Li J.Y. Wang: Microstructures and theoretical bulk modulus of layered ternary tantalum aluminum carbides. J. Am. Ceram. Soc. 89, 3765 2006

    CAS  Article  Google Scholar 

  30. 30

    O. Wilhelmsson, J.P. Palmquist, E. Lewin, J. Emmerlich, P. Eklund, P.O.Å. Persson, H. Högberg, S. Li, R. Ahuja, O. Eriksson, L. Hultman U. Jansson: Deposition and characterization of ternary thin films within the Ti-Al-C system by DC magnetron sputtering. J. Cryst. Growth 291, 290 2006

    CAS  Article  Google Scholar 

  31. 31

    D.J. Green: An Introduction to the Mechanical Properties of Ceramics Cambridge University Press Cambridge, UK 1998

    Google Scholar 

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This work was supported by the National Outstanding Young Scientist Foundation for Y.C. Zhou under Grant No. 59925208, Natural Science Foundation of China under Grant Nos. 50232040, 50302011, and 90403027.

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Lin, Z., He, L., Li, M. et al. Layered stacking characteristics of ternary zirconium aluminum carbides. Journal of Materials Research 22, 3058–3066 (2007).

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