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首页> 外文期刊>Journal of Materials Research >Trend in crystal structure of layered ternary T-Al-C carbides (T = Sc, Ti, V, Cr, Zr, Nb, Mo, Hf, W, and Ta)
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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)

机译：层状三元T-Al-C碳化物的晶体结构趋势（T = Sc，Ti，V，Cr，Zr，Nb，Mo，Hf，W和Ta）

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摘要

Layered ternary T-A1-C ceramics containing early transition metal Sc, Zr, and Hf, crystallize with the T_nAl_3C_(n+2) formula, while others containing neighbor elements Ti, V, Cr, Nb, Mo, W, and Ta yield the T_(n+1)AlC_n formula. Ternary T_nAl_3C_(n+2) ceramics are structurally characterized by NaCl-type TC slabs being separated by Al_4C_3-type A1C layers. In the present study, we suggest that the ability of forming the T_nAl_3C_(n+2) carbide could be traced back to the structure mismatches between the TC, A1_4C_3 and T_nAl_3C_(n+2) compounds. Ternary carbides following the T_nAl_3C(n+2) formula experience small lattice mismatches and strain energies. Moreover, the discrepancy between crystal structures of T_nAl_3C_(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-A1-C based ceramics, but may be also general to predict the crystal structure of layered compounds constructed by alternatively stacked structural units.
机译：包含早期过渡金属Sc，Zr和Hf的层状三元T-A1-C陶瓷以T_nAl_3C_（n + 2）公式结晶，而其他包含相邻元素Ti，V，Cr，Nb，Mo，W和Ta的晶体T_（n + 1）AlC_n公式。三元T_nAl_3C_（n + 2）陶瓷的结构特征是NaCl型TC平板被Al_4C_3型AlC层隔开。在本研究中，我们建议形成T_nAl_3C_（n + 2）碳化物的能力可以追溯到TC，Al_4C_3和T_nAl_3C_（n + 2）化合物之间的结构失配。遵循T_nAl_3C（n + 2）公式的三元碳化物经历小的晶格失配和应变能。而且，通过三元T-Al-C陶瓷的晶格失配和产生的应变能来解释T_nAl_3C_（n + 2）和T_（n + 1）AlC_n的晶体结构之间的差异。我们还介绍了过渡金属的原子半径与晶格失配以及应变能之间的密切关系。所提出的方法不仅有助于解释基于T-A1-C的陶瓷的晶体结构趋势，而且对于预测由交替堆叠的结构单元构成的层状化合物的晶体结构也可能是通用的。

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  • 来源
    《Journal of Materials Research》 |2007年第10期|2685-2690|共6页
  • 作者

    Jingyang Wang; Yanchun Zhou; Ting Liao; Zhijun Lin;

  • 作者单位

    Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016, China;

  • 收录信息 美国《科学引文索引》(SCI);美国《工程索引》(EI);美国《生物学医学文摘》(MEDLINE);
  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类 工程材料学;
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