Synthesis, structures, optical properties and electronic structures of PbGa(2)Q(4) (Q = S, Se) crystals
Wu, K (Wu, Kui); Pan, SL (Pan, Shilie); Wu, HP (Wu, Hongping); Yang, ZH (Yang, Zhihua)
2015
Source PublicationJOURNAL OF MOLECULAR STRUCTURE
ISSN0022-2860
Volume1082Issue:2Pages:174-179
Abstract

Single crystals of PbGa(2)Q(4) (Q = S, Se) have been successfully synthesized by solid-state reactions and their structures are determined by single-crystal X-ray diffraction methods. They are isostructural and crystallize in the orthorhombic space group Fddd (Z = 32). In their crystal structures, the GaS4 or GaSe4 units are connected with corner or edges sharing to form layers, and these layers are bridged by Pb atoms to generate a three-dimensional (3D) framework. The UV-Vis-IR diffuse reflectance spectra exhibit that the optical band gaps are about 2.38 and 1.83 eV for PbGa2S4 and PbGa2Se4, respectively, which are consistent with the calculated values. Their thermal behaviors and Raman spectra were also measured. First-principle theoretical studies are used to aid the understanding of electronic structures and linear optical properties.

KeywordMetal Chalcogenides X-ray Diffraction Raman Spectroscopy Electronic Band Structure Birefringence
DOI10.1016/j.molstruc.2014.11.019
Indexed BySCI
WOS IDWOS:000347591100021
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Cited Times:2[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.xjipc.cas.cn/handle/365002/4203
Collection新疆维吾尔自治区电子信息材料与器件重点实验室
材料物理与化学研究室
Corresponding AuthorPan, SL (Pan, Shilie)
AffiliationChinese Acad Sci, Xinjiang Tech Inst Phys & Chem, Xinjiang Key Lab Elect Informat Mat & Devices, Key Lab Funct Mat & Devices Special Environm CAS, Urumqi 830011, Peoples R China
Recommended Citation
GB/T 7714
Wu, K ,Pan, SL ,Wu, HP ,et al. Synthesis, structures, optical properties and electronic structures of PbGa(2)Q(4) (Q = S, Se) crystals[J]. JOURNAL OF MOLECULAR STRUCTURE,2015,1082(2):174-179.
APA Wu, K ,Pan, SL ,Wu, HP ,&Yang, ZH .(2015).Synthesis, structures, optical properties and electronic structures of PbGa(2)Q(4) (Q = S, Se) crystals.JOURNAL OF MOLECULAR STRUCTURE,1082(2),174-179.
MLA Wu, K ,et al."Synthesis, structures, optical properties and electronic structures of PbGa(2)Q(4) (Q = S, Se) crystals".JOURNAL OF MOLECULAR STRUCTURE 1082.2(2015):174-179.
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