Resumo

BACHIR BOUIADJRA, B.; MEHNANE, N.  e  OUKLI, N.. First principles calculation of structural, electronic and optical properties of (001) and (110) growth axis (InN)/(GaN) _n superlattices. Rev. mex. fis. [online]. 2021, vol.67, n.1, pp.7-17.  Epub 31-Jan-2022. ISSN 0035-001X.  https://doi.org/10.31349/revmexfis.67.7.

Based on the full potential linear muffin-tin orbitals (FPLMTO) calculation within density functional theory, we systematically investigate the electronic and optical properties of (100) and (110)-oriented (InN)/(GaN) n zinc-blende superlattice with one InN monolayer and with different numbers of GaN monolayers. Specifically, the electronic band structure calculations and their related features, like the absorption coefficient and refractive index of these systems are computed over a wide photon energy scale up to 20 eV. The effect of periodicity layer numbers n on the band gaps and the optical activity of (InN)/(GaN) n SL s in both growth axis (001) and (110) are examined and compared. Because of prospective optical aspects of (InN)/(GaN) n such as light-emitting applications, this theoretical study can help the experimental measurements.

Palavras-chave : Gallium nitride; growth axis; InN/GaN superlattices; optical properties.

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