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https://repositorio.ufba.br/handle/ri/6966
metadata.dc.type: | Artigo de Periódico |
Título : | Electronic band-edge structure, effective masses, and optical absorption of Si1-xGex using an extended FPLAPW/VCA/LDA+U computational method |
Otros títulos : | Brazilian Journal of Physics |
Autor : | Persson, Clas Nur, Omer Willander, Magnus Silva, Erasmo A. de Andrada e Silva, Antonio Ferreira da |
metadata.dc.creator: | Persson, Clas Nur, Omer Willander, Magnus Silva, Erasmo A. de Andrada e Silva, Antonio Ferreira da |
Resumen : | Electronic band-edge structure and optical properties of Si1-xGex are investigated theoretically emloying a full-potential linearized augmented plane wave (FPLAPW) method. The exchange-correlation potential in the local density approximation (LDA) is corrected by an on-site Coulomb potential (i.e., within the LDA+USIC approach) acting asymmetrically on the atomic-like orbitals in the muffin-tin spheres. The electronic structure of the Si1-xGex is calculated self-consistently, assuming a Td symmetrized Hamiltonian and a linear behavior of the valence-band eigenfunctions for Si, SiGe, and Ge with respect to Ge composition x, assuming randomly alloyed crystal structure. i.e., a "virtual-crystal like" approximation (VCA). We show that this approach yields accurate band-gap energies, effective masses, dielectric function, and optical properties of Si1-xGex. We perform absorption measurements showing the band-gap energy for x < 0.25. |
Palabras clave : | FPLAPW/VCA/LDA+U Optical properties Si1-xGex |
Editorial : | Sociedade Brasileira de Física |
URI : | http://www.repositorio.ufba.br/ri/handle/ri/6966 |
Fecha de publicación : | jun-2006 |
Aparece en las colecciones: | Artigo Publicado em Periódico (FIS) |
Ficheros en este ítem:
Fichero | Descripción | Tamaño | Formato | |
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Persson, Clas.pdf | 154,7 kB | Adobe PDF | Visualizar/Abrir |
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