Journal
SOLID STATE SCIENCES
Volume 12, Issue 1, Pages 144-147Publisher
ELSEVIER
DOI: 10.1016/j.solidstatesciences.2009.10.019
Keywords
Ti2CdC; Elastic property; Electrical friction; First-principle calculation
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The chemical bonding and elastic properties of Ti2CdC were investigated by means of a first-principles pseudopotential total energy method. The calculated results for the lattice constants and internal coordinate agree with experimental values very well. Ti2CdC is conducting, and the Cd-d states have little effect on the chemical bonding. The elastic properties were estimated from the individual elastic constants by Voigt approximation. The calculated shear-modulus of Ti2CdC, 70 GPa, is the lowest value among all MAX phases. The lower shear-modulus and shear-modulus-to-bulk-modulus ratio are related to the weaker Ti-Cd bond, which indicates the lower coefficient of friction. This suggests that Ti2CdC would be a potential electrical frictional material. (C) 2009 Elsevier Masson SAS. All rights reserved.
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