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Synthesis, Crystal Structures, Optical Properties and Theoretical Calculations of Two Metal Chalcogenides Ba2AlSbS5 and Ba2GaBiSe5
Wu, XW (Wu, Xiaowen)[ 1 ]; Gu, XF (Gu, Xiaofeng)[ 1 ]; Pan, H (Pan, Hui)[ 1 ]; Hu, Y (Hu, Yi)[ 1 ]; Wu, K (Wu, Kui)[ 2 ]
2018
Source PublicationCRYSTALS
ISSN2073-4352
Volume8Issue:4Pages:1-10
Abstract

Two quaternary metal chalcogenides, Ba2AlSbS5 and Ba2GaBiSe5, were successfully synthesized by solid-state reaction in sealed silica tubes. Both of them crystallize in the same orthorhombic space group Pnma, but they appear with obviously different construction features. For example, Ba2AlSbS5 exhibits [SbS3](3-) units and zero-dimensional (0D) [AlSbS5](4-) clusters, which is different from those ([BiSe6](3-) units and 1D [GaBiSe5](4-) chains) of Ba2GaBiSe5. We also systematically investigated the entire series of (Ba2MMIII)-M-III'Q(5) (M-III = Al, Ga, In; M-III' = As, Sb, Bi; Q = S, Se, Te) compounds, and the results showed that the interconnection of M(III)Q(4) and M-III'Q(n) (n = 3, 5, 6) units can form three different structural types, including 0D [(MMIII)-M-III'Q(5)] clusters, single [M-III'Q(3)] chains and isolated [M(III)Q(4)] units, or [M(III)Q(3)](n) and [M-III'Q(3)](n) double chains, which may be induced by the flexible coordination and on-link modes of M-III' atoms. Spectral investigation shows that their bandgaps are about 2.57 eV for Ba2AlSbS5 and 2.14 eV for Ba2GaBiSe5. Theoretical calculation was also used to analyze their structure-property relationships, and the results indicate that the title compounds exhibit larger birefringences (Delta n > 0.10), thus having potential as the IR birefringent materials.

KeywordMetal Chalcogenides Crystal Structure Theoretical Calculation
DOI10.3390/cryst8040165
Indexed BySCI
WOS IDWOS:000435186200024
Citation statistics
Cited Times:2[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.xjipc.cas.cn/handle/365002/5615
Collection材料物理与化学研究室
Affiliation1.Xinjiang Normal Univ, Coll Chem & Chem Engn, Urumqi 830017, Peoples R China
2.Chinese Acad Sci, Xinjiang Tech Inst Phys & Chem, Urumqi 830011, Peoples R China
Recommended Citation
GB/T 7714
Wu, XW ,Gu, XF ,Pan, H ,et al. Synthesis, Crystal Structures, Optical Properties and Theoretical Calculations of Two Metal Chalcogenides Ba2AlSbS5 and Ba2GaBiSe5[J]. CRYSTALS,2018,8(4):1-10.
APA Wu, XW ,Gu, XF ,Pan, H ,Hu, Y ,&Wu, K .(2018).Synthesis, Crystal Structures, Optical Properties and Theoretical Calculations of Two Metal Chalcogenides Ba2AlSbS5 and Ba2GaBiSe5.CRYSTALS,8(4),1-10.
MLA Wu, XW ,et al."Synthesis, Crystal Structures, Optical Properties and Theoretical Calculations of Two Metal Chalcogenides Ba2AlSbS5 and Ba2GaBiSe5".CRYSTALS 8.4(2018):1-10.
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