Layered ternary T-Al-C ceramics containing early transition metal Sc, Zr, and Hf, crystallize with the T (n)Al(3)C(n+2) formula, while others containing neighbor elements Ti, V, Cr, Nb, Mo, W, and Ta yield the T(n+1),AIC(n) formula. Ternary T(n)Al(3)C(n+2) ceramics are structurally characterized by NaCl-type TC slabs being separated by Al(4)C(3)-type AlC layers. In the present study, we suggest that the ability of forming the T(n)Al(3)C(n+2) carbide could be traced back to the structure mismatches between the TC, A14C3 and T(n)Al(3)C(n+2) compounds. Ternary carbides following the T(n)Al(3)C(n+2) formula experience small lattice mismatches and strain energies. Moreover, the discrepancy between crystal structures of T(n)Al(3)C(n+2) and T(n+1)AlC(n) 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.
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