Growth and Raman spectrum of Ba2Mg(B3O6)(2) crystal
文献类型：期刊论文
| 作者 | Lv X. S.; Sun Y. L.; Han J.; Gu G. X.; Wan S. M.; Cheng M. J.; Pan S. L.; Zhang Q. L. |
| 刊名 | JOURNAL OF CRYSTAL GROWTH
 |
| 出版日期 | 2013 |
| 卷号 | 363期号:1页码:220-225 |
| 关键词 | First-principles calculations Raman spectroscopy Growth from melt Borates Nonlinear optic materials |
| ISSN号 | 0022-0248 |
| 中文摘要 | Ba2Mg(B3O6)(2) (BMBO) is a potential stimulated Raman scattering (SRS) crystal. In this work, a colorless transparent BMBO single crystal with a dimension of 32x23x7 mm(3) has been grown by the Kyropoulos method. A spontaneous Raman spectrum of the crystal was recorded at room temperature. Site group analysis and first-principles calculations were employed to interpret the Raman spectrum. The site group analysis results show that the total lattice modes are 10A(g)+11A(u)+10E(g)+11E(u), of which 10A(g)+10E(g) are Raman-active. The crystal Raman spectrum was computed in CASTEP (Cambridge Sequential Total Energy Package) using a hybrid method combining density functional perturbation theory with the finite displacement method. All of the Raman-active modes have been identified. The internal modes of the B3O6 ring in the crystal give rise to vibrations with Raman shifts above 220 cm(-1); the translations and the librations of the rings, as well as the translations of the Ba2+ cations, give rise to vibrations with Raman shifts below 220 cm(-1). The strongest peak at 645 cm(-1) in the experimental spectrum is assigned to the breathing mode of the B3O6 ring. |
| 学科主题 | Crystallography ; Materials Science ; Physics |
| 收录类别 | SCI |
| 资助信息 | National Natural Science Foundation of China 50932005; Key Laboratory of Functional Crystals and Laser Technology, TIPC, Chinese Academy of Sciences |
| 公开日期 | 2013-11-07 |
| 源URL | [http://ir.xjipc.cas.cn/handle/365002/2691]  |
| 专题 | 新疆理化技术研究所_新疆维吾尔自治区电子信息材料与器件重点实验室 |
| 作者单位 | Chinese Acad Sci, Anhui Inst Opt & Fine Mech, Anhui Key Lab Photon Devices & Mat, Hefei 230031, Peoples R China;Chinese Acad Sci, Xinjiang Key Lab Elect Informat Mat & Devices, Xinjiang Tech Inst Phys & Chem, Urumqi 830011, Peoples R China |
| 推荐引用方式 GB/T 7714 | Lv X. S.,Sun Y. L.,Han J.,et al. Growth and Raman spectrum of Ba2Mg(B3O6)(2) crystal[J]. JOURNAL OF CRYSTAL GROWTH,2013,363(1):220-225. |
| APA | Lv X. S..,Sun Y. L..,Han J..,Gu G. X..,Wan S. M..,...&Zhang Q. L..(2013).Growth and Raman spectrum of Ba2Mg(B3O6)(2) crystal.JOURNAL OF CRYSTAL GROWTH,363(1),220-225. |
| MLA | Lv X. S.,et al."Growth and Raman spectrum of Ba2Mg(B3O6)(2) crystal".JOURNAL OF CRYSTAL GROWTH 363.1(2013):220-225. |
入库方式： OAI收割
来源：新疆理化技术研究所
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