UM  > 中華醫藥研究院
Crystal growth, electronic structure and optical properties of Sr2Mg(BO3)2
Xianshun Lv1,2; Lei Wei1,2; Xuping Wang1,2; Jianhua Xu1,2; Huajian Yu1,2; Yanyan Hu1,2; Huadi Zhang1,2; Cong Zhang1,2; Jiyang Wang1,2; Qinggang Li1,3
2017-10-26
Source PublicationJOURNAL OF SOLID STATE CHEMISTRY
ISSN0022-4596
Volume258Pages:283-288
Abstract

Single crystals of Sr2Mg(BO3)2(SMBO) were grown by Kyropoulos method. X-ray powder diffraction (XRD)analysis, transmission spectrum, thermal properties, band structure, density of states and charge distribution aswell as Raman spectra of SMBO were described. The as-grown SMBO crystals show wide transparency rangewith UV cut-offbelow 180 nm. A direct band gap of 4.66 eV was obtained from the calculated electronicstructure results. The calculated band structure and density of states results indicated the top valence band isdetermined by O 2p states whereas the low conduction band mainly consists of Sr 5s states. Twelve Ramanpeaks were observed in the experimental spectrum, fewer than the number predicted by the site group analysis.Raman peaks of SMBO were assigned combiningfirst-principle calculation and site group analysis results. Thestrongest peak at 917 cm−1in the experimental spectrum is assigned to symmetric stretching modeA1′(ν1)offree BO3 units. SMBO is a potential Raman crystal which can be used in deep UV laser frequency conversion.

KeywordCrystal Growth Sr2mg(Bo3)2 Raman Crystal First-principle Calculation
DOI10.1016/j.jssc.2017.10.032
Indexed BySCI
Language英语
WOS Research AreaChemistry
WOS SubjectChemistry, Inorganic & Nuclear ; Chemistry, Physical
WOS IDWOS:000423650400037
PublisherACADEMIC PRESS INC ELSEVIER SCIENCE, 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA
Fulltext Access
Citation statistics
Cited Times [WOS]:7   [WOS Record]     [Related Records in WOS]
Document TypeJournal article
CollectionInstitute of Chinese Medical Sciences
Corresponding AuthorXianshun Lv
Affiliation1.Advanced Materials Institute, Shandong Academy of Sciences, Jinan 250014, China
2.Key Laboratory for Light Conversion Materials and Technology of Shandong, Academy of Sciences, Jinan 250014, China
3.Shandong Key Laboratory for High Strength Lightweight Metallic Materials, Jinan 250014, China
Recommended Citation
GB/T 7714
Xianshun Lv,Lei Wei,Xuping Wang,et al. Crystal growth, electronic structure and optical properties of Sr2Mg(BO3)2[J]. JOURNAL OF SOLID STATE CHEMISTRY,2017,258:283-288.
APA Xianshun Lv.,Lei Wei.,Xuping Wang.,Jianhua Xu.,Huajian Yu.,...&Qinggang Li.(2017).Crystal growth, electronic structure and optical properties of Sr2Mg(BO3)2.JOURNAL OF SOLID STATE CHEMISTRY,258,283-288.
MLA Xianshun Lv,et al."Crystal growth, electronic structure and optical properties of Sr2Mg(BO3)2".JOURNAL OF SOLID STATE CHEMISTRY 258(2017):283-288.
Related Services
Recommend this item
Bookmark
Usage statistics
Export to Endnote
Google Scholar
Similar articles in Google Scholar
[Xianshun Lv]'s Articles
[Lei Wei]'s Articles
[Xuping Wang]'s Articles
Baidu academic
Similar articles in Baidu academic
[Xianshun Lv]'s Articles
[Lei Wei]'s Articles
[Xuping Wang]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[Xianshun Lv]'s Articles
[Lei Wei]'s Articles
[Xuping Wang]'s Articles
Terms of Use
No data!
Social Bookmark/Share
All comments (0)
No comment.
 

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