Growth and Raman spectrum of Ba2Mg(B3O6)(2) crystal

CORC > 新疆理化技术研究所 > 中国科学院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

	Growth and Raman spectrum of Ba2Mg(B3O6)(2) crystal
	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
	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
内容类型	期刊论文
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.