Kbims4 (m=si, ge): synthesis, structure, and electronic structure
文献类型：期刊论文
| 作者 | Mei, Dajiang1,2; Lin, Zheshuai1; Bai, Lei1; Yao, Jiyong1; Fu, Peizhen1; Wu, Yicheng1 |
| 刊名 | Journal of solid state chemistry
 |
| 出版日期 | 2010-07-01 |
| 卷号 | 183期号:7页码:1640-1644 |
| 关键词 | Bismuth Sulfide Synthesis Crystal structure Optical Band structure |
| ISSN号 | 0022-4596 |
| DOI | 10.1016/j.jssc.2010.05.003 |
| 通讯作者 | Yao, jiyong(jyao@mail.ipc.ac.cn) |
| 英文摘要 | Two new bismuth sulfides kbisis4 and kbiges4 have been synthesized by means of the reactive flux method. they adopt the rbbisis4 structure type and crystallize in space group p2(1)/c of the monoclinic system. the structure consists of (infinity)(2)[bims4-] (m=si, ge) layers separated by bicapped trigonal-prismatically coordinated k atoms. the m atom is tetrahedrally coordinated to four s atoms and the bi atom is coordinated to a distorted monocapped trigonal prism of seven s atoms. the optical band gap of 2.25(2) ev for kbisis4 was deduced from the diffuse reflectance spectrum. from a band structure calculation, the optical absorption for kbisis4 originates from the (infinity)(2)[bisis4-] layer. the si 3p orbitals, bi 6p orbitals, and s 3p orbitals are highly hybridized near the fermi level. the orbitals of k have no contributions on both the upper of valence band and the bottom of conduction band. (c) 2010 elsevier inc. all rights reserved. |
| WOS关键词 | RARE-EARTH-ELEMENTS ; THERMOELECTRIC PROPERTIES ; QUATERNARY CHALCOGENIDES ; 2ND-HARMONIC GENERATION ; CRYSTAL-STRUCTURES ; BISMUTH SULFIDES ; RB ; SI ; PSEUDOPOTENTIALS ; THIOSILICATES |
| WOS研究方向 | Chemistry |
| WOS类目 | Chemistry, Inorganic & Nuclear ; Chemistry, Physical |
| 语种 | 英语 |
| WOS记录号 | WOS:000279711200025 |
| 出版者 | ACADEMIC PRESS INC ELSEVIER SCIENCE |
| URI标识 | http://www.irgrid.ac.cn/handle/1471x/2409663 |
| 专题 | 中国科学院大学 |
| 通讯作者 | Yao, Jiyong |
| 作者单位 | 1.Chinese Acad Sci, Tech Inst Phys & Chem, Key Lab Funct Crystals & Laser Technol, Beijing 100190, Peoples R China 2.Chinese Acad Sci, Grad Univ, Beijing 100049, Peoples R China |
| 推荐引用方式 GB/T 7714 | Mei, Dajiang,Lin, Zheshuai,Bai, Lei,et al. Kbims4 (m=si, ge): synthesis, structure, and electronic structure[J]. Journal of solid state chemistry,2010,183(7):1640-1644. |
| APA | Mei, Dajiang,Lin, Zheshuai,Bai, Lei,Yao, Jiyong,Fu, Peizhen,&Wu, Yicheng.(2010).Kbims4 (m=si, ge): synthesis, structure, and electronic structure.Journal of solid state chemistry,183(7),1640-1644. |
| MLA | Mei, Dajiang,et al."Kbims4 (m=si, ge): synthesis, structure, and electronic structure".Journal of solid state chemistry 183.7(2010):1640-1644. |
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来源：中国科学院大学
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