This article is cited in 1 paper

Mechanical properties, strength physics and plasticity

Effect of boron, nitrogen, and oxygen impurities on the electronic structure and deformation behavior of Ti$_3$SiC$_2$

N. I. Medvedeva

Institute of Solid State Chemistry, Urals Branch of the Russian Academy of Sciences, Ekaterinburg

Abstract: The effect of nitrogen, oxygen, and boron impurities on the lattice parameters, local distortions, stability, and electronic structure of ternary silicon carbide Ti$_3$SiC$_2$ was studied by the ab initio density functional theory method. An axial tension was simulated, and the effect of impurities on the deformation behavior of Ti$_3$SiC$_2$ was predicted. It was shown that nitrogen can favor the strengthening of Ti$_3$SiC$_2$, whereas boron and oxygen should lead to the laminate separation.

Received: 17.07.2012

 English version: Physics of the Solid State, 2013, 55:3, 551–555

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