Crystal Structure and Theoretical Elastic Property of a New Ternary Ceramic HfAl4C4

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HfAl4C4, a new ternary aluminum carbide, was discovered and its crystal structure was determined by a combination of X-ray diffraction, transmission electron microscopy, and first-principles calculations. The crystal structure is trigonal belonging to the space group. The refined lattice constants are a=0.3308 nm, c=2.190 nm. First-principles method was used to calculate the theoretical second-order elastic constants, bulk modulus, shear modulus, and the Young's modulus of HfAl4C4. It shows that HfAl4C4 has relatively high elastic stiffness.

Document Type: Research Article


Affiliations: Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Science, Shenyang 110016, China

Publication date: April 1, 2010

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