Bandstructure and optical properties of $α-LiIO_{3}$ crystal
| dc.creator | Nie, Yung-mau | |
| dc.date | 2007-04-18 | |
| dc.date | 2007-04-19 | |
| dc.date.accessioned | 2026-07-07T07:57:00Z | |
| dc.date.available | 2026-07-07T07:57:00Z | |
| dc.description | The bandstructure was calculated by the full-potential linearized augmented plane wave method. The result reveals two important insights to the novel second harmonic generation (SHG) of alpha-phase lithium iodate ($α-LiIO_{3}$) crystal: the existence of finite intra-band momentum matrix elements due to the non-inversion symmetry of the crystal illuminating the potential of the intra-band transition, and the strong covalent bonding between the $I$-atoms and the ligand $O$-atoms resulting the condition of the double-resonance. An inter-band transition scenario in SHG as $α-LiIO_{3}$ in nano-structure is proposed. The optical properties were calculated within the theoretical framework of the time-dependent perturbation of the independent-particle model. The dielectric tensors and the refractive index were evaluated. Comparisons between the predictions and the results were made: the x-ray near edge absorption spectra; the refractive index at the static limit, and at finite frequencies. Possible factors attributing the calculation errors is discussed. | |
| dc.description | 13 pages, 7 figures | |
| dc.identifier | https://arxiv.org/abs/0704.2323 | |
| dc.identifier | http://arxiv.org/abs/0704.2323 | |
| dc.identifier.uri | http://salesiana.dossiersoluciones.com/handle/123456789/127525 | |
| dc.subject | Optics | |
| dc.title | Bandstructure and optical properties of $α-LiIO_{3}$ crystal | |
| dc.type | text |