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http://cio.repositorioinstitucional.mx/jspui/handle/1002/298| THEORETICAL OPTICAL SECOND-HARMONIC CALCULATIONS FOR SURFACES | |
| Sean Anderson | |
| Bernardo Mendoza | |
| Acceso Abierto | |
| Atribución-NoComercial-SinDerivadas | |
| NONLINEAR OPTICS, SECOND-HARMONIC GENERATION | |
| "In this thesis we will formulate a theoretical approach of surface second-harmonic generation (SSHG) from semiconductor surfaces based on the length gauge and the electron density operator. Within the independent particle approximation the surface nonlinear second-order surface susceptibility tensor χ abc surface (−2ω; ω, ω) is calculated, including in one unique formulation (i) the scissors correction, needed to have the correct value of the energy band gap, (ii) the contribution of the nonlocal part of the pseudopotentials, and (iii) the derivation for the inclusion of the cut function, used to extract the surface response. The first two contributions are described by spatially nonlocal quantum mechanical operators and are fully taken into account in the present formulation. We will also revisit the three layer model for the SSHG yield and demonstrate that it provides more accurate results over several, more common, two layer models. This entire framework is implemented in the TINIBA software suite, which was developed over the course of this doctoral project. We will apply this framework for the clean Si (001)2×1 and Si (111)(1×1):H surfaces, and compare with various experimental spectra from several different sources. These surfaces provide an excellent platform for comparison with theory, and allows us to offer this study as an efficient benchmark for this type of calculation. Finally, we can conclude that this new approach to the calculation of the second-harmonic spectra is versatile and accurate within this level of approximation." | |
| 2016-07 | |
| Tesis de doctorado | |
| Inglés | |
| León, Guanajuato | |
| Público en general | |
| Anderson (2016). "Theoretical Optical Second-Harmonic Calculations for Surfaces". Tesis de Doctorado en Ciencias (Óptica). Centro de Investigaciones en Óptica, A.C. León, Guanajuato. 132 pp. | |
| OPTICA NO LINEAL | |
| Aparece en las colecciones: | DOCTORADO EN CIENCIAS (ÓPTICA) |
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| Fichero | Descripción | Tamaño | Formato | |
|---|---|---|---|---|
| 16691.pdf | Texto completo / Full text | 1.48 MB | Adobe PDF | Visualizar/Abrir |