Ab initio calculations of the mechanical properties of Ti[sub 3]SiC[sub 2]

Holm, Bengt; Ahuja, Rajeev; Johansson, Bo¨rje
September 2001
Applied Physics Letters;9/3/2001, Vol. 79 Issue 10
Academic Journal
We present results of first-principles calculations of the elastic constants and other mechanical properties of Ti[sub 3]SiC[sub 2]. This knowledge is important from a technological point of view, since the material shows promising characteristics, such as a combined metallic and ceramic appearance. We also confirm a recent experimental observation that the structure of Ti[sub 3]SiC[sub 2] is stable at elevated pressures, and investigate some consequences of this fact. © 2001 American Institute of Physics.


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