Bond-charge calculation of nonlinear optical susceptibilities of LiXO3 type complex crystals
文献类型：期刊论文
| 作者 | Xue DF ; Zhang SY |
| 刊名 | chemical physics
 |
| 出版日期 | 1998 |
| 卷号 | 226期号:3页码:307-318 |
| 关键词 | ELECTRONIC RESPONSE STRUCTURAL ASPECTS IONIC-CRYSTALS ORBITAL THEORY |
| ISSN号 | 0301-0104 |
| 通讯作者 | zhang sy |
| 中文摘要 | second order nonlinear optical (nlo) tensor coefficients of lixo3 (x = i, nb, ta) type crystals have been evaluated on the basis of the dielectric theory of complex crystals and the modified bond charge model. the current method is capable of calculating single bond contributions to the total second order nlo susceptibility. the tenser values thus calculated agree well with experimental data. by introducing the subformula equation and the concept of the effective charge of one valence electron, we are able to successfully treat such complex crystals as lixo3 type compounds. in addition, the bond charge expression is modified to a more reasonable form for complex crystals. (c) 1998 elsevier science b.v. |
| 收录类别 | SCI收录期刊论文 |
| 语种 | 英语 |
| WOS记录号 | WOS:000072161800006 |
| 公开日期 | 2010-11-04 |
| 源URL | [http://202.98.16.49/handle/322003/23057]  |
| 专题 | 长春应用化学研究所_长春应用化学研究所知识产出_期刊论文 |
| 推荐引用方式 GB/T 7714 | Xue DF,Zhang SY. Bond-charge calculation of nonlinear optical susceptibilities of LiXO3 type complex crystals[J]. chemical physics,1998,226(3):307-318. |
| APA | Xue DF,&Zhang SY.(1998).Bond-charge calculation of nonlinear optical susceptibilities of LiXO3 type complex crystals.chemical physics,226(3),307-318. |
| MLA | Xue DF,et al."Bond-charge calculation of nonlinear optical susceptibilities of LiXO3 type complex crystals".chemical physics 226.3(1998):307-318. |
入库方式： OAI收割
来源：长春应用化学研究所
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