Synthesis, crystal and band structures, and optical properties of a new quaternary metal pnictidehalide: (hg2cd2as2br)br
文献类型：期刊论文
| 作者 | Zou, Jian-Ping; Guo, Guo-Cong; Chen, Wen-Tong; Liu, Xi; Fu, Ming-Lai; Zhang, Zhang-Jing; Huang, Jin-Shun |
| 刊名 | Inorganic chemistry
 |
| 出版日期 | 2006-08-07 |
| 卷号 | 45期号:16页码:6365-6369 |
| ISSN号 | 0020-1669 |
| DOI | 10.1021/ic060503r |
| 通讯作者 | Guo, guo-cong(gcguo@ms.fjirsm.ac.cn) |
| 英文摘要 | A new quaternary cadmium and mercury pnictidehalide semiconductor (hg2cd2as2br) br (1) has been prepared by the solid-state reaction of hgbr2 with elemental cd and as at 420 degrees c. compound 1 crystallizes in the space group pmma of the orthorhombic system with two formula units in a cell: a = 8.791(4) angstrom, b = 4.701(2) angstrom, c = 9.779(6) angstrom, v = 404.2(3) angstrom(3). the structure of 1 is composed of parallel slabs bridged by linearly coordinated hg atoms to form a 3d cationic network with the channels occupied by discrete br anions, in which the layer consists of interlinks of linear (hgas2br2) tetrahedral chains and (cdas2br) trigonal chains. the optical properties were investigated in terms of the diffuse reflectance and fourier transform infrared spectra. the electronic band structure along with the density of states (dos) calculated by the dft method indicate that compound 1 is a semiconductor with an indirect band gap and that the optical absorption mainly originates from the charge transitions from the br2-4p and as-4p to cd-5s and hg-6s states. |
| WOS关键词 | P-D HYBRIDIZATION ; ELECTRONIC-STRUCTURE ; CHALCOPYRITE SEMICONDUCTORS ; MERCURY ; FRAMEWORK ; COMPOUND ; PRESSURE ; ANIONS ; PHASES |
| WOS研究方向 | Chemistry |
| WOS类目 | Chemistry, Inorganic & Nuclear |
| 语种 | 英语 |
| 出版者 | AMER CHEMICAL SOC |
| WOS记录号 | WOS:000239394300040 |
| URI标识 | http://www.irgrid.ac.cn/handle/1471x/2379418 |
| 专题 | 中国科学院大学 |
| 通讯作者 | Guo, Guo-Cong |
| 作者单位 | 1.Chinese Acad Sci, Fujian Inst Res Struct Matter, State Key Lab Struct Chem, Fuzhou 350002, Fujian, Peoples R China 2.Chinese Acad Sci, Grad Sch, Beijing 100039, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zou, Jian-Ping,Guo, Guo-Cong,Chen, Wen-Tong,et al. Synthesis, crystal and band structures, and optical properties of a new quaternary metal pnictidehalide: (hg2cd2as2br)br[J]. Inorganic chemistry,2006,45(16):6365-6369. |
| APA | Zou, Jian-Ping.,Guo, Guo-Cong.,Chen, Wen-Tong.,Liu, Xi.,Fu, Ming-Lai.,...&Huang, Jin-Shun.(2006).Synthesis, crystal and band structures, and optical properties of a new quaternary metal pnictidehalide: (hg2cd2as2br)br.Inorganic chemistry,45(16),6365-6369. |
| MLA | Zou, Jian-Ping,et al."Synthesis, crystal and band structures, and optical properties of a new quaternary metal pnictidehalide: (hg2cd2as2br)br".Inorganic chemistry 45.16(2006):6365-6369. |
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来源：中国科学院大学
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