Electronic Band-Edge Structure, Effective Masses, and Optical Absorption of Si1-¡xGex Using an Extended FPLAPW/VCA/LDA+U Computational Method
Fuente:
Redalyc
Gespeichert in:
| 1. Verfasser: | |
|---|---|
| Format: | Artículo científico |
| Sprache: | en |
| Veröffentlicht: |
Sociedade Brasileira de Física
2006
|
| Schlagworte: | |
| Online-Zugang: | |
| Tags: |
Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
|
| _version_ | 1876468471473111040 |
|---|---|
| author | Erasmo A. de Andrada e Silva |
| author_facet | Erasmo A. de Andrada e Silva |
| 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 |
| format | Artículo científico |
| id | redalyc_46436358 |
| institution | Redalyc |
| language | en |
| publishDate | 2006 |
| publisher | Sociedade Brasileira de Física |
| spellingShingle | 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 Física, Astronomía y Matemáticas VCA LDA+U FPLAPW Si1¡xGex Optical properties 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 |
| title | Electronic Band-Edge Structure, Effective Masses, and Optical Absorption of Si1-¡xGex Using an Extended FPLAPW/VCA/LDA+U Computational Method |
| topic | Física, Astronomía y Matemáticas VCA LDA+U FPLAPW Si1¡xGex Optical properties |
| url | https://www.redalyc.org/articulo.oa?id=46436358 |