Linear response calculation of first-order Raman spectra of point defects in silicon carbide - CEA - Commissariat à l’énergie atomique et aux énergies alternatives
Article Dans Une Revue Physica Status Solidi A (applications and materials science) Année : 2016

Linear response calculation of first-order Raman spectra of point defects in silicon carbide

Résumé

Raman spectroscopy has been increasingly used, in recent years, to characterize irradiated materials, in particular silicon carbide. The interpretation of the spectra is nevertheless problematic. In this paper, we provide a first step toward a more quantitative interpretation, by providing first‐principles calculations of Raman intensities for various polytypes of silicon carbide (SiC) and for point defects in cubic SiC. We consider here, as benchmarks, the carbon antisite, CSi, and the doubly charged carbon vacancy/carbon antisite complex. We show that some care is necessary to understand the contribution of point defects on the Raman spectrum of the material, due to supercell size effects.

Dates et versions

cea-02389528 , version 1 (02-12-2019)

Identifiants

Citer

Guido Roma. Linear response calculation of first-order Raman spectra of point defects in silicon carbide. Physica Status Solidi A (applications and materials science), 2016, 213 (11), pp.2995-2999. ⟨10.1002/pssa.201600036⟩. ⟨cea-02389528⟩

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