Utilize este identificador para referenciar este registo:
https://hdl.handle.net/1822/6355
Título: | Influence of oxygen addition on the structural and elastic properties of TiC thin films |
Autor(es): | Marques, L. Fernandes, Ana C. Vaz, F. Ramos, Marta M. D. |
Palavras-chave: | Density functional theory (DFT) Titanium oxycarbid Structure Elastic constants Thin films titanium oxycarbide |
Data: | Mai-2007 |
Editora: | Wiley |
Revista: | Plasma Processes and Polymers |
Citação: | "Plasma processes and polymers". ISSN 1612-8850. 4 (May 2007) S195-S199. |
Resumo(s): | 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. |
Tipo: | Artigo |
URI: | https://hdl.handle.net/1822/6355 |
DOI: | 10.1002/ppap.200730610 |
ISSN: | 1612-8850 |
Arbitragem científica: | yes |
Acesso: | Acesso aberto |
Aparece nas coleções: | CDF - FCT - Artigos/Papers (with refereeing) CDF - GRF - Artigos/Papers (with refereeing) |
Ficheiros deste registo:
Ficheiro | Descrição | Tamanho | Formato | |
---|---|---|---|---|
repos-A52.pdf | TiC | 150,9 kB | Adobe PDF | Ver/Abrir |