| Revista: | Brazilian journal of physics |
| Base de datos: | PERIÓDICA |
| Número de sistema: | 000158909 |
| ISSN: | 0103-9733 |
| Autores: | Bechstedt, F1 Adolph, B Schmidt, W.G |
| Instituciones: | 1Friedrich Schiller Universitat, Jena, Gera. Alemania |
| Año: | 1999 |
| Periodo: | Dic |
| Volumen: | 29 |
| Número: | 4 |
| Paginación: | 643-651 |
| País: | Brasil |
| Idioma: | Inglés |
| Tipo de documento: | Artículo |
| Enfoque: | Analítico |
| Resumen en inglés | The theoretical and numerical approaches are discussed for ab initio calculations of optical properties. The density functional theory (DFT) combined with the local-density approximation (LDA) allows the calculation of the geometry of crystalline solids and their surfaces with a precision of about one percent. The DFT-LDA band structure and single-electron states therefore provide a reasonable starting point for the calculation of linear and nonlinear susceptibilities within the independent-particle approximation. However, this approach has to be improved by taking into account many-body interactions: self-energy effects, local-field corrections, and electron-hole attraction. Three types of optical spectra are studied: the frequency-dependent dielectric function, the second-harmonic generation, and surface reflectance anisotropy spectra. The systems considered are two-atomic semiconductors, their polytypes and their surfaces |
| Disciplinas: | Física y astronomía |
| Palabras clave: | Física de materia condensada, Optica, Semiconductores, Propiedades ópticas, Cálculos ab initio, Susceptivilidad, Función dieléctrica, Reflectancia |
| Keyword: | Physics and astronomy, Condensed matter physics, Optics, Semiconductors, Optical properties, Ab-initio, Susceptivility, Dielectric function, Reflectance |
| Texto completo: | Texto completo (Ver HTML) |
