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| Format: | Artículo científico |
| Language: | en |
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Sociedade Brasileira de Física
2006
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| Online Access: | https://www.redalyc.org/articulo.oa?id=46436358 |
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Table of Contents:
- Electronic Band-Edge Structure, Effective Masses, and Optical Absorption of Si1-¡xGex Using an Extended FPLAPW/VCA/LDA+U Computational Method Erasmo A. de Andrada e Silva Omer Nur Magnus Willander Antonio Ferreira da Silva Clas Persson Física, Astronomía y Matemáticas VCA LDA+U FPLAPW Si1¡xGex Optical properties Electronic band-edge structure and optical properties of Si1¡xGex are investigated theoretically emloying afull-potential linearized augmented plane wave (FPLAPW) method. The exchange-correlation potential in thelocal density approximation (LDA) is corrected by an on-site Coulomb potential (i.e., within the LDA+USICapproach) acting asymmetrically on the atomic-like orbitals in the muffin-tin spheres. The electronic structureof the Si1¡xGex is calculated self-consistently, assuming a Td symmetrized Hamiltonian and a linear behaviorof the valence-band eigenfunctions for Si, SiGe, and Ge with respect to Ge composition x, assuming randomlyalloyed crystal structure. i.e., a virtual-crystal like approximation (VCA). We show that this approach yieldsaccurate band-gap energies, effective masses, dielectric function, and optical properties of Si1¡xGex. We performabsorption measurements showing the band-gap energy for x < 0:25. 2006 artículo científico 0103-9733 https://www.redalyc.org/articulo.oa?id=46436358 en http://www.redalyc.org/revista.oa?id=464 Brazilian Journal of Physics application/pdf Sociedade Brasileira de Física Brazilian Journal of Physics (Brasil) Num.2A Vol.36