Please use this identifier to cite or link to this item:
https://repositorio.ufba.br/handle/ri/6966
metadata.dc.type: | Artigo de Periódico |
Title: | Electronic band-edge structure, effective masses, and optical absorption of Si1-xGex using an extended FPLAPW/VCA/LDA+U computational method |
Other Titles: | Brazilian Journal of Physics |
Authors: | 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 |
Abstract: | 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. |
Keywords: | FPLAPW/VCA/LDA+U Optical properties Si1-xGex |
Publisher: | Sociedade Brasileira de Física |
URI: | http://www.repositorio.ufba.br/ri/handle/ri/6966 |
Issue Date: | Jun-2006 |
Appears in Collections: | Artigo Publicado em Periódico (FIS) |
Files in This Item:
File | Description | Size | Format | |
---|---|---|---|---|
Persson, Clas.pdf | 154,7 kB | Adobe PDF | View/Open |
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.