| Theoretical studies of third-order nonlinear optical response for b12n12, b24n24 and b36n36 clusters | |
| Lan, YZ; Cheng, WD; Wu, DS; Li, XD; Zhang, H; Gong, YJ; Shen, J; Li, FF | |
| 刊名 | Journal of molecular structure-theochem
 |
| 2005-10-07 | |
| 卷号 | 730期号:1-3页码:9-15 |
| 关键词 | Boron nitride Optical properties Cluster |
| ISSN号 | 0166-1280 |
| DOI | 10.1016/j.theochem.2005.06.008 |
| 通讯作者 | Cheng, wd() |
| 英文摘要 | In this paper, we have calculated the third-order nonlinear optical polarizabilities corresponding to three optical processes: third-harmonic generation (thg), electric-field-induced second-harmonic generation (efishg) and degenerate four-wave mixing (dfwm) for b12n12, b24n24 and b36n36 clusters. the calculations have been performed by employing ab initio time-dependent density functional theory combined with sum-over-states method (sos//tddft). we obtained the similar dynamic behavior of third-order nlo polarizabilities for three bn clusters. at input photon energy below 1.25 ev, the resonance enhancements of response haven't occurred. this is due to the fact that the calculated bn clusters have the large transition energy. b24n24 cluster has the larger transition dipole moments and the third-order polarizabilities of b24n24 are much larger than those of b12n12 and b36n36. we also estimate the static third-order optical susceptibility chi((3)) for bn fullerene materials from the average static third-order polarizability |
| WOS关键词 | RESOLUTION ELECTRON-MICROSCOPY ; EXCITED-STATE PROPERTIES ; BORON-NITROGEN ANALOGS ; STRUCTURAL-PROPERTIES ; NITRIDE ; C60 ; FULLERENES ; NANOTUBES ; STABILITY ; IRRADIATION |
| WOS研究方向 | Chemistry |
| WOS类目 | Chemistry, Physical |
| 语种 | 英语 |
| 出版者 | ELSEVIER SCIENCE BV |
| WOS记录号 | WOS:000232320900002 |
| 内容类型 | 期刊论文 |
| URI标识 | http://www.corc.org.cn/handle/1471x/2377159 |
| 专题 | 中国科学院大学 |
| 通讯作者 | Cheng, WD |
| 作者单位 | Chinese Acad Sci, Fujian Inst Res Struct Matter, State Key Lab Struct Chem, Grad Sch, Fujian 350002, Peoples R China |
| 推荐引用方式 GB/T 7714 | Lan, YZ,Cheng, WD,Wu, DS,et al. Theoretical studies of third-order nonlinear optical response for b12n12, b24n24 and b36n36 clusters[J]. Journal of molecular structure-theochem,2005,730(1-3):9-15. |
| APA | Lan, YZ.,Cheng, WD.,Wu, DS.,Li, XD.,Zhang, H.,...&Li, FF.(2005).Theoretical studies of third-order nonlinear optical response for b12n12, b24n24 and b36n36 clusters.Journal of molecular structure-theochem,730(1-3),9-15. |
| MLA | Lan, YZ,et al."Theoretical studies of third-order nonlinear optical response for b12n12, b24n24 and b36n36 clusters".Journal of molecular structure-theochem 730.1-3(2005):9-15. |
| 个性服务 |
| 查看访问统计 |
| 相关权益政策 |
| 暂无数据 |
| 收藏/分享 |
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。
修改评论