Structure Simulation and Vibration Spectra of KTm0.1Yb0.9(WO4)2 Laser Crystal

BI Lin; DI Xiao-qiang; ZHAO Jian-ping; LI Chun; LIU Jing-he

doi:10.3788/fgxb20183904.0475

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Structure Simulation and Vibration Spectra of KTm_0.1Yb_0.9(WO₄)₂ Laser Crystal

更新时间：2020-08-12

- Structure Simulation and Vibration Spectra of KTm_0.1Yb_0.9(WO₄)₂ Laser Crystal
- Chinese Journal of Luminescence Vol. 39, Issue 4, Pages: 475-480(2018)
- 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：
  
  Supported by Jilin Provincial S&T Development Plan Project of China (201604140
- DOI：10.3788/fgxb20183904.0475
  CLC： O766;O482.31
- Received：12 July 2017，
  
  Revised：20 September 2017，
  
  Published Online：04 September 2017，
  
  Published：05 April 2018
- 稿件说明：
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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 KTm0.1Yb0.9(WO4)2 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 KTm0.1Yb0.9(WO4)2 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

0.9

（WO

）

）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

0.9

（WO

）

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

、TmO

/YbO

和KO

基团组成。W

二聚体通过WOW单氧桥相连，在平行于

轴方向上形成（W

）

多重带。

和KO

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

；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

原子基团及单氧桥（WOW）和双氧桥（WOOW）的存在。

Abstract

KTm

0.1

0.9

(WO

)

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

TmO

/YbO

and KO

groups. The W

dimers

which are connected by the single oxygen bridge(WOW)

have a formation of the(W

)

multiple bands in the direction of parallel to the

axis. TmO

/YbO

and KO

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

. 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

groups

single oxygen bridges(WOW) and double oxygen bridges(WOOW) in the crystal.

关键词

Keywords

references

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