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DC Field | Value | Language |
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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 | - |
Appears in Collections: | Physics and Astronomy |
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