Journal article

Electronic structure and optical properties of TaC from the first principles calculation

  • Sahnoun, Mohammed Département de Chimie, Université de Fribourg, Switzerland
  • Daul, Claude A. Département de Chimie, Université de Fribourg, Switzerland
  • Parlebas, J. C. IPCMS-GEMM, UMR 7504 CNRS, Strasbourg, France
  • Demangeat, C. IPCMS-GEMM, UMR 7504 CNRS, Strasbourg, France
  • Driz, M. Laboratoire de Sciences des Matériaux, Université Djillali Liabes, Sidi Bel Abbes, Algeria
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    28.04.2005
Published in:
  • The European Physical Journal B. - 2005, vol. 44, no. 3, p. 281-286
English The electronic and optical properties of tantalum carbide TaC have been calculated using the full-potential linearized augmented-plane-wave method within the local density approximation scheme for the exchange-correlation potential. We find that the optical spectra can be extremely sensitive to the Brillouin zone sampling. The influence of relativistic effects on the dielectric function is... Show more…
Faculty
Faculté des sciences et de médecine
Department
Chimie
Language
  • English
Classification
Chemistry
License
License undefined
Identifiers
Persistent URL
https://folia.unifr.ch/unifr/documents/300068