%0 Journal Article
%T First-principles study of Vickers hardness and thermodynamic properties of Ti3SnC2 polymorphs
%A M. A. Rayhan
%A M. A. Ali
%A S. H. Naqib
%A A. K. M. A. Islam
%J Physics
%D 2015
%I arXiv
%X We have investigated Vickers hardness and the thermodynamic properties of the recently discovered nanolaminate carbide Ti3SnC2 polymorphs using the first-principles calculations. The chemical bonding shows a combination of covalent, ionic and metallic types. The strong covalent bonding is mainly responsible for high Vickers hardness of Ti3SnC2 polymorphs. Thermodynamic properties are studied using the quasi-harmonic Debye model. The variation of bulk modulus, thermal expansion co-efficient, specific heats, and Debye temperature with applied pressure (P) and temperature (T) are investigated systematically within the ranges of 0 - 50 GPa and 0 - 1000 K. The calculated results have been compared with available experimental and theoretical data.
%U http://arxiv.org/abs/1505.03666v1