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Trend in crystal structure of layered ternary T-Al-C carbides (T = Sc, Ti, V, Cr, Zr, Nb, Mo, Hf, W, and Ta)

Published online by Cambridge University Press:  31 January 2011

Jingyang Wang ,
Yanchun Zhou ,
Ting Liao  and
Zhijun Lin
Jingyang Wang*
Affiliation:
Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016, China; and International Centre for Materials Physics, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016, China
Yanchun Zhou
Affiliation:
Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016, China
Ting Liao
Affiliation:
Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016, China; and Graduate School of Chinese Academy of Sciences, Beijing 100039, China
Zhijun Lin
Affiliation:
Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016, China; and Graduate School of Chinese Academy of Sciences, Beijing 100039, China
*
a)Address all correspondence to this author. e-mail: [email protected]
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Abstract

Layered ternary T-Al-C ceramics containing early transition metal Sc, Zr, and Hf, crystallize with the TnAl3Cn+2 formula, while others containing neighbor elements Ti, V, Cr, Nb, Mo, W, and Ta yield the Tn+1AlCn formula. Ternary TnAl3Cn+2 ceramics are structurally characterized by NaCl-type TC slabs being separated by Al4C3-type AlC layers. In the present study, we suggest that the ability of forming the TnAl3Cn+2 carbide could be traced back to the structure mismatches between the TC, Al4C3 and TnAl3Cn+2 compounds. Ternary carbides following the TnAl3Cn+2 formula experience small lattice mismatches and strain energies. Moreover, the discrepancy between crystal structures of TnAl3Cn+2 and Tn+1AlCn is interpreted by lattice mismatch and the produced strain energy for the ternary T-Al-C ceramics. We also present close relationships between the atomic radii of transition metal and lattice mismatch, as well as the strain energy. The proposed method is not only helpful to explain the trend in crystal structure of T-Al-C based ceramics, but may be also general to predict the crystal structure of layered compounds constructed by alternatively stacked structural units.

Keywords

CeramicCrystallographic structureElectronic structure
Type
Articles
Information
Journal of Materials Research , Volume 22 , Issue 10 , October 2007 , pp. 2685 - 2690
Copyright
Copyright © Materials Research Society 2007

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