中国科学院新疆理化技术研究所机构知识库
Advanced  
XJIPC OpenIR  > 新疆维吾尔自治区电子信息材料与器件重点实验室  > 期刊论文
学科主题: Chemistry
题名:
Ba2Cd(B3O6)(2): A Congruent-Melting Compound with Isolated B3O6 Units
作者: Dong Xiaoyu; Cui Liang; Shi Yunjing; Pan ShiLie(潘世烈); Zhou Zhongxiang; Yang Zhihua; Zhang Bingbing; Jiang Xiangzhan; Yang Yun; Chen Zhaohui; Huang Zhenjun
通讯作者: Pan, SL
关键词: Congruent-melting ; Birefringence ; Borate ; Ba2Cd(B3O6)2
刊名: ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE
发表日期: 2013
DOI: 10.1002/zaac.201300047
卷: 639, 期:6, 页:988-993
收录类别: SCI
资助者: 973 Program of China 2012CB626803; National Natural Science Foundation of China U1129301, 51172277, 21101168, 11104344; Main Direction Program of Knowledge Innovation of CAS KJCX2-EW-H03-03; One Hundred Talents Project Foundation Program of CAS; Funds for Creative Cross & Cooperation Teams of CAS; Major Program of Xinjiang Uygur Autonomous Region of China 201130111; High Technology Research & Development Program of Xinjiang Uygur Autonomous Region of China 201116143; Science and Technology Project of Urumqi G121130002
摘要: The single crystals of Ba2Cd(B3O6)2 were grown by the spontaneous crystallization method for the first time. They crystallize in the centrosymmetric trigonal space group R$\bar{3}$ with a = 7.143(3) angstrom, c = 17.405(16) angstrom, and Z = 3. The structure is characterized by isolated B3O6 units, and the Ba2+ and Cd2+ cations connect with B3O6 rings to form three dimensional structure. The TG/DSC and XRD results reveal that Ba2Cd(B3O6)2 melts congruently. First-principles electronic structure calculation performed with the density functional theory (DFT) method shows that the calculated bandgaps are 4.66 eV, which is in good agreement with the UV/Vis/NIR experimental value 4.59 eV. The calculation shows that the Ba2Cd(B3O6)2 crystal has a large birefringence (n = 0.08750.0569 from 270 nm to 2600 nm), which demonstrates that Ba2Cd(B3O6)2 is a potential birefringence crystal.
Citation statistics:
内容类型: 期刊论文
URI标识: http://ir.xjipc.cas.cn/handle/365002/2663
Appears in Collections:新疆维吾尔自治区电子信息材料与器件重点实验室_期刊论文

Files in This Item:
File Name/ File Size Content Type Version Access License
Ba2Cd(B3O6)(2) A Congruent-Melting Compound with Isolated B3O6 Units.pdf(695KB)期刊论文作者接受稿开放获取View 联系获取全文

作者单位: Chinese Acad Sci, Xinjiang Tech Inst Phys & Chem, Key Lab Funct Mat & Devices Special Environm, Xinjiang Key Lab Elect Informat Mat & Devices, Urumqi 830011, Peoples R China;Univ Chinese Acad Sci, Beijing 100049, Peoples R China

Recommended Citation:
Dong Xiaoyu,Cui Liang,Shi Yunjing,et al. Ba2Cd(B3O6)(2): A Congruent-Melting Compound with Isolated B3O6 Units[J]. ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE,2013-01-01,639(6):988-993.
Service
Recommend this item
Sava as my favorate item
Show this item's statistics
Export Endnote File
Google Scholar
Similar articles in Google Scholar
[Dong Xiaoyu]'s Articles
[Cui Liang]'s Articles
[Shi Yunjing]'s Articles
CSDL cross search
Similar articles in CSDL Cross Search
[Dong Xiaoyu]‘s Articles
[Cui Liang]‘s Articles
[Shi Yunjing]‘s Articles
Related Copyright Policies
Null
Social Bookmarking
Add to CiteULike Add to Connotea Add to Del.icio.us Add to Digg Add to Reddit
文件名: Ba2Cd(B3O6)(2) A Congruent-Melting Compound with Isolated B3O6 Units.pdf
格式: Adobe PDF
所有评论 (0)
暂无评论
 
评注功能仅针对注册用户开放,请您登录
您对该条目有什么异议,请填写以下表单,管理员会尽快联系您。
内 容:
Email:  *
单位:
验证码:   刷新
您在IR的使用过程中有什么好的想法或者建议可以反馈给我们。
标 题:
 *
内 容:
Email:  *
验证码:   刷新

Items in IR are protected by copyright, with all rights reserved, unless otherwise indicated.

 

 

Valid XHTML 1.0!
Powered by CSpace