Synthesis, structures, optical properties and electronic structures of two mixed metal borates MBaB5O9 (M = Na, K)
Yu, Hongwei; Pan, Shilie; Wu, Hongping; Su, Xin; Yang, Zhihua
2014
Source PublicationJournal of Alloys and Compounds
ISSN0925-8388
Volume585Issue:5Pages:602-607
Abstract

Two ternary borates, MBaB5O9 (M = Na, K) have been synthesized by the flux method. Single-crystal X-ray diffraction analysis revealed that they crystallize in the same space group P21/c (No. 14). In their crystal structures, the basic building blocks are the B 5O9 double rings, which are further linked by corner-sharing to form a two-dimension (2D) infinite corrugated 1[B5O9]3 layer. However, since the 2D 1[B5O9]3 layers possess the different arrangement in NaBaB5O9 and KBaB5O9, they are not isostructural. In addition, the UVVisIR diffuse reflectance spectra exhibit that they have the relatively wide band gaps, 4.78 eV for NaBaB5O9 and 3.65 eV for KBaB5O9. The DSC analysis suggests that NaBaB5O9 melts congruently. And the first-principle theoretical studies are also carried out to aid the understanding of electronic structures and linear optical properties.

KeywordInorganic Materials X-ray Diffraction Chemical Synthesis Electronic Band Structure Optical Properties
DOI10.1016/j.jallcom.2013.09.120
Indexed BySCI
WOS IDWOS:000327492600089
Citation statistics
Cited Times:10[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.xjipc.cas.cn/handle/365002/3803
Collection中国科学院特殊环境功能材料与器件重点试验室
材料物理与化学研究室
Corresponding AuthorPan, Shilie
Affiliation1.Chinese Acad Sci, Key Lab Funct Mat & Devices Special Environm, Urumqi 830011, Peoples R China
2.Xinjiang Key Lab Elect Informat Mat & Devices, Urumqi 830011, Peoples R China
3.Chinese Acad Sci, Xinjiang Tech Inst Phys & Chem, Urumqi 830011, Peoples R China
4.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
Recommended Citation
GB/T 7714
Yu, Hongwei,Pan, Shilie,Wu, Hongping,et al. Synthesis, structures, optical properties and electronic structures of two mixed metal borates MBaB5O9 (M = Na, K)[J]. Journal of Alloys and Compounds,2014,585(5):602-607.
APA Yu, Hongwei,Pan, Shilie,Wu, Hongping,Su, Xin,&Yang, Zhihua.(2014).Synthesis, structures, optical properties and electronic structures of two mixed metal borates MBaB5O9 (M = Na, K).Journal of Alloys and Compounds,585(5),602-607.
MLA Yu, Hongwei,et al."Synthesis, structures, optical properties and electronic structures of two mixed metal borates MBaB5O9 (M = Na, K)".Journal of Alloys and Compounds 585.5(2014):602-607.
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