Published in

Wiley, Plasma Processes and Polymers, S1(4), p. S195-S199, 2007

DOI: 10.1002/ppap.200730610

Links

Tools

Export citation

Search in Google Scholar

Influence of oxygen addition on the structural and elastic properties of TiC thin films

This paper is available in a repository.
This paper is available in a repository.

Full text: Download

Green circle
Preprint: archiving allowed
Orange circle
Postprint: archiving restricted
Red circle
Published version: archiving forbidden
Data provided by SHERPA/RoMEO

Abstract

We have studied the structural, electronic, and mechanical properties of TiCxOy, using first principles calculations based on the density functional theory and pseudopotential method, within the generalized gradient approximation for the exchange-correlation functional. These calculations provide the lattice parameter, density of states, cohesive energy, elastic constants, and moduli as a function of carbon and oxygen content. The calculated values of lattice parameters and elastic moduli are generally in good agreement with experiments and compare well with other theoretical results.