Density-Functional Theory of the nonlinear optical susceptibility: application to cubic semiconductors
| dc.creator | Corso, Andrea Dal | |
| dc.creator | Mauri, Francesco | |
| dc.creator | Rubio, Angel | |
| dc.date | 1995-08-07 | |
| dc.date.accessioned | 2026-07-07T09:15:51Z | |
| dc.date.available | 2026-07-07T09:15:51Z | |
| dc.description | We present a general scheme for the computation of the time dependent (TD) quadratic susceptibility ($χ^{(2)}$) of an extended insulator obtained by applying the `$2n+1$' theorem to the action functional as defined in TD density functional theory. The resulting expression for $χ^{(2)}$ includes self-consistent local-field effects, and is a simple function of the linear response of the system. We compute the static $χ^{(2)}$ of nine III-V and five II-VI semiconductors using the local density approximation(LDA) obtaining good agreement with experiment. For GaP we also evaluate the TD $χ^{(2)}$ for second harmonic generation using TD-LDA. | |
| dc.identifier | https://arxiv.org/abs/mtrl-th/9508006 | |
| dc.identifier | http://arxiv.org/abs/mtrl-th/9508006 | |
| dc.identifier.uri | http://salesiana.dossiersoluciones.com/handle/123456789/153162 | |
| dc.subject | Materials Science | |
| dc.subject | Chemical Physics | |
| dc.title | Density-Functional Theory of the nonlinear optical susceptibility: application to cubic semiconductors | |
| dc.type | text |