| dc.creator |
Bechstedt F. |
|
| dc.creator |
Adolph B. |
|
| dc.creator |
Schmidt W. G. |
|
| dc.date |
1999 |
|
| dc.date.accessioned |
2013-05-29T23:20:54Z |
|
| dc.date.available |
2013-05-29T23:20:54Z |
|
| dc.date.issued |
2013-05-30 |
|
| dc.identifier |
http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0103-97331999000400007 |
|
| dc.identifier |
http://www.doaj.org/doaj?func=openurl&genre=article&issn=01039733&date=1999&volume=29&issue=4&spage=643 |
|
| dc.identifier.uri |
http://koha.mediu.edu.my:8181/jspui/handle/123456789/2711 |
|
| dc.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. |
|
| dc.publisher |
Sociedade Brasileira de Física |
|
| dc.source |
Brazilian Journal of Physics |
|
| dc.title |
Ab initio calculation of linear and nonlinear optical properties of semiconductor structures |
|