Hierarchical active factors to band gap and nonlinear optical response in Ag-containing quaternary-chalcogenide compounds
文献类型：期刊论文
| 作者 | Huang, JB (Huang, Jun-ben); Mamat, M (Mamat, Mamatrishat); Pan, SL (Pan, Shilie) ; Yang, ZH (Yang, Zhihua)
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| 刊名 | JOURNAL OF SOLID STATE CHEMISTRY
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| 出版日期 | 2016 |
| 卷号 | 239期号:7页码:30-35 |
| 关键词 | Ag-containing quaternary-chalcogenide Band gap SHG response Birefringence |
| 通讯作者 | Yang, ZH |
| 中文摘要 | In this research work, Ag-containing quaternary-chalcogenide compounds KAg2TS4 (T=P, Sb) (I -II) and RbAg2SbS4 (III) have been studied by means of Density Functional Theory as potential IR nonlinear optical materials. The origin of wide band gap, different optical anisotropy and large SHG response is explained via a combination of density of states, electronic density difference and bond population analysis. It is indicated that the different covalent interaction behavior of P-S and Sb-S bonds dominates the band gap and birefringence. Specifically, the Ag-containing chalcogenide compound KAg2PS4 possesses wide band gap and SHG response comparable with that of AgGaS2. By exploring the origin of the band gap and NLO response for compounds KAg2TS4 (T=P, Sb), we found the determination factor to the properties is different, especially the roles of Ag-d orbitals and bonding behavior of P-S or Sb-S. Thus, the compounds KAg2TS4 (T=P, Sb) and RbAg2SbS4 can be used in infrared (IR) region. |
| 收录类别 | SCI |
| WOS记录号 | WOS:000377422000005 |
| 源URL | [http://ir.xjipc.cas.cn/handle/365002/4654]  |
| 专题 | 新疆理化技术研究所_新疆维吾尔自治区电子信息材料与器件重点实验室 新疆理化技术研究所_材料物理与化学研究室 |
| 作者单位 | 1.Xinjiang Univ, Sch Phys Sci & Technol, Urumqi 830046, Peoples R China 2.Chinese Acad Sci, Xinjiang Tech Inst Phys & Chem, Xinjiang Key Lab Elect Informat Mat & Devices, 40-1 South Beijing Rd, Urumqi 830011 |
| 推荐引用方式 GB/T 7714 | Huang, JB ,Mamat, M ,Pan, SL ,et al. Hierarchical active factors to band gap and nonlinear optical response in Ag-containing quaternary-chalcogenide compounds[J]. JOURNAL OF SOLID STATE CHEMISTRY,2016,239(7):30-35. |
| APA | Huang, JB ,Mamat, M ,Pan, SL ,&Yang, ZH .(2016).Hierarchical active factors to band gap and nonlinear optical response in Ag-containing quaternary-chalcogenide compounds.JOURNAL OF SOLID STATE CHEMISTRY,239(7),30-35. |
| MLA | Huang, JB ,et al."Hierarchical active factors to band gap and nonlinear optical response in Ag-containing quaternary-chalcogenide compounds".JOURNAL OF SOLID STATE CHEMISTRY 239.7(2016):30-35. |
入库方式： OAI收割
来源：新疆理化技术研究所
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