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http://dspace.mediu.edu.my:8181/xmlui/handle/123456789/2711| Title: | Ab initio calculation of linear and nonlinear optical properties of semiconductor structures |
| Issue Date: | 30-May-2013 |
| Publisher: | Sociedade Brasileira de Física |
| Description: | 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. |
| URI: | http://koha.mediu.edu.my:8181/jspui/handle/123456789/2711 |
| Other Identifiers: | http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0103-97331999000400007 http://www.doaj.org/doaj?func=openurl&genre=article&issn=01039733&date=1999&volume=29&issue=4&spage=643 |
| Appears in Collections: | Physics and Astronomy |
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