p-(p, pi*) interaction mechanism revealing and accordingly designed new member in deep-ultraviolet NLO borates LinMn-1B2n-1O4n-2 (M = Cs/Rb, n=3, 4, 6)
文献类型：期刊论文
| 作者 | Zhang, BB (Zhang, Bingbing); Yang, ZH (Yang, Zhihua) ; Yang, Y (Yang, Yun); Lee, MH (Lee, Ming-Hsien); Pan, SL (Pan, Shilie); Jing, Q (Jing, Qun); Su, X (Su, Xin)
|
| 刊名 | Journal of Materials Chemistry C
 |
| 出版日期 | 2014 |
| 卷号 | 2期号:21页码:4133-4141 |
| ISSN号 | 20507534 |
| 通讯作者 | Yang, ZH |
| 英文摘要 | Exploration on the compounds in the complex alkali metal borate system had resulted in the discovery of a class of deep-ultraviolet second-order nonlinear optical (NLO) materials, including Li3Cs2B5O10 (L3CBO), Li4Cs3B7O14 (L4CBO), and Li6Rb5B11O22 (L6RBO), which can be reduced to a general formula of LinMn-1B2n-1O4n-2 (M = Cs/Rb, n = 3, 4, 6). All of the three crystals exhibit a short UV cutoff edge (below 190 nm) and share a class of topologically similar BO groups interconnected by LiOn (n = 4, 5), Rb/CsOn (n = 8, 9, 10). The mechanism of NLO properties of this class of crystals was studied using band-resolved and SHG-density methods based on the first-principles theory. The results reveal that the "charge-transfer excitation" from the non-bonding 2p occupied states of O atoms to the pi* and 2p unoccupied states of the BO3 substructure in BO groups is the key mechanism of NLO properties of this material family. Through systematic analyses on the relationship between crystal structure and NLO effects, a new crystal, Li4Rb3B7O14, was designed and subsequently synthesized through solid state reaction, which is isomorphic with Li4Cs3B7O14 and exhibits a short UV cutoff edge (below 190 nm) and a SHG response of 2/3 x KDP. |
| 收录类别 | SCI |
| WOS记录号 | WOS:000336038400006 |
| 公开日期 | 2014-11-11 |
| 源URL | [http://ir.xjipc.cas.cn/handle/365002/3824]  |
| 专题 | 新疆理化技术研究所_中国科学院特殊环境功能材料与器件重点试验室 新疆理化技术研究所_材料物理与化学研究室 |
| 作者单位 | Key Laboratory of Functional Materials and Devices for Special Environments of CAS, Xinjiang Key Laboratory of Electronic Information Materials and Devices, Xinjiang Technical Institute of Physics and Chemistry of CAS, 40-1 South Beijing Road, Urumqi 830011, China |
| 推荐引用方式 GB/T 7714 | Zhang, BB ,Yang, ZH ,Yang, Y ,et al. p-(p, pi*) interaction mechanism revealing and accordingly designed new member in deep-ultraviolet NLO borates LinMn-1B2n-1O4n-2 (M = Cs/Rb, n=3, 4, 6)[J]. Journal of Materials Chemistry C,2014,2(21):4133-4141. |
| APA | Zhang, BB .,Yang, ZH .,Yang, Y .,Lee, MH .,Pan, SL .,...&Su, X .(2014).p-(p, pi*) interaction mechanism revealing and accordingly designed new member in deep-ultraviolet NLO borates LinMn-1B2n-1O4n-2 (M = Cs/Rb, n=3, 4, 6).Journal of Materials Chemistry C,2(21),4133-4141. |
| MLA | Zhang, BB ,et al."p-(p, pi*) interaction mechanism revealing and accordingly designed new member in deep-ultraviolet NLO borates LinMn-1B2n-1O4n-2 (M = Cs/Rb, n=3, 4, 6)".Journal of Materials Chemistry C 2.21(2014):4133-4141. |
入库方式： OAI收割
来源：新疆理化技术研究所
浏览0
下载0
收藏0
其他版本
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。