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掺铥钨酸镱钾激光晶体结构模拟及振动光谱
Structure Simulation and Vibration Spectra of KTm0.1Yb0.9(WO4)2 Laser Crystal
- 发光学报 2018年39卷第4期 页码：475-480
- 作者机构：
1. 长春理工大学 材料科学与工程学院,吉林 长春,130022
2. 长春理工大学 计算机科学技术学院,吉林 长春,130022
- 作者简介：
- 基金信息：吉林省科技发展计划（20160414043GH）();吉林省教育厅"();十三五"();科学技术研究项目（2016-379）资助()
DOI：10.3788/fgxb20183904.0475
中图分类号： O766;O482.31纸质出版日期：2018-4-5，
网络出版日期：2017-9-4，
收稿日期：2017-7-12，
修回日期：2017-9-20，
扫 描 看 全 文
毕琳, 底晓强, 赵建平等. 掺铥钨酸镱钾激光晶体结构模拟及振动光谱[J]. 发光学报, 2018,39(4): 475-480
BI Lin, DI Xiao-qiang, ZHAO Jian-ping etc. Structure Simulation and Vibration Spectra of KTm<sub>0.1</sub>Yb<sub>0.9</sub>(WO<sub>4</sub>)<sub>2</sub> Laser Crystal[J]. Chinese Journal of Luminescence, 2018,39(4): 475-480
毕琳, 底晓强, 赵建平等. 掺铥钨酸镱钾激光晶体结构模拟及振动光谱[J]. 发光学报, 2018,39(4): 475-480 DOI： 10.3788/fgxb20183904.0475.
BI Lin, DI Xiao-qiang, ZHAO Jian-ping etc. Structure Simulation and Vibration Spectra of KTm<sub>0.1</sub>Yb<sub>0.9</sub>(WO<sub>4</sub>)<sub>2</sub> Laser Crystal[J]. Chinese Journal of Luminescence, 2018,39(4): 475-480 DOI： 10.3788/fgxb20183904.0475.
摘要
采用泡生法生长了掺铥钨酸镱钾（KTm
0.1
Yb
0.9
（WO
4
）
2
）激光晶体。利用X射线单晶衍射法和X射线粉末衍射法研究了KTm
0.1
Yb
0.9
（WO
4
）
2
晶体的物相与结构。采用X射线单晶衍射法并结合Diamond晶体结构绘图软件，获得了晶体内部结构模型图：该晶体是由WO
6
、TmO
8
/YbO
8
和KO
12
基团组成。W
2
O
10
二聚体通过WOW单氧桥相连，在平行于
c
轴方向上形成（W
2
O
8
）
n
多重带。
Re
O
8
和KO
12
多面体共顶相连，沿[101]和[110]
方向形成了具有二维层结构的延长带。X射线粉末衍射分析表明：该晶体具有低温
相双钨酸盐结构，属于单斜晶系，空间群
C
2/
c
；计算了晶胞参数、晶粒尺寸和结晶度。测试了晶体的振动光谱，对各个峰值的红外和拉曼活性及分子振动情况进行了归属，进一步验证了晶体中WO
6
原子基团及单氧桥（WOW）和双氧桥（WOOW）的存在。
Abstract
KTm
0.1
Yb
0.9
(WO
4
)
2
laser crystal was grown by the Kyropoulos method. The phase and structure of the crystal were studied using the X-ray single crystal diffraction and X-ray powder diffraction. Combined with the X-ray single crystal diffraction method
the structure model of the crystal was obtained by the diamond crystal graphics software. It is indicated that the crystal consists of WO
6
TmO
8
/YbO
8
and KO
12
groups. The W
2
O
10
dimers
which are connected by the single oxygen bridge(WOW)
have a formation of the(W
2
O
8
)
n
multiple bands in the direction of parallel to the
c
axis. TmO
8
/YbO
8
and KO
12
are connected with the same vertex
which can form an extension band along the[101] and[110]
directions with a two-dimensional structure. X-ray powder diffraction analysis indicates that the crystal belongs to monoclinic system with a space group
C
2/
c
. It is verified that as-grown crystal is
-double tungstate with low temperature. The cell parameters
crystal grain size and crystallinity of the crystal were calculated as well. The vibration spectra of the crystal were investigated. The vibration modes and frequencies of infrared and Raman peaks were identified
which could further verify the presence of WO
6
groups
single oxygen bridges(WOW) and double oxygen bridges(WOOW) in the crystal.
关键词
KTm0.1Yb0.9(WO4)2激光晶体结构模拟振动光谱
Keywords
KTm0.1Yb0.9(WO4)2 laser crystalstructure simulationvibration spectra
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