A series of lithium rare earth polyphosphates [liln(po(3))(4)] (ln = tb, ho, yb) and their structural, optical, and electronic properties | |
Fang, Ming; Cheng, Wen-Dan; Xie, Zhi; Zhang, Hao; Zhao, Dan; Zhang, Wei-Long; Yang, Song-Lin | |
刊名 | Journal of molecular structure |
2008-11-26 | |
卷号 | 891期号:1-3页码:25-29 |
关键词 | Density functional calculations Uv/vis spectroscopy Rare earths Phosphates |
ISSN号 | 0022-2860 |
DOI | 10.1016/j.molstruc.2008.02.032 |
通讯作者 | Cheng, wen-dan(cwd@ms.fjirsm.ac.cn) |
英文摘要 | The structural, optical, and electronic properties of a series of lithium rare earth polyphosphates [liln(po(3))(4)][ln = tb(1), ho(2),yb(3)] have been investigated by means of single-crystal x-ray diffraction, spectroscopic measurements and calculations of energy-band structures, density of states, and optical response functions by density functional methods. these liln(po(3))4 systems are monoclinic with space group c2/c and z=4. their unit-cell parameters decrease as the ionic radius of ln(3+) decreases (tb(3+) > ho(3+) > yb(3+)). both (po(4))(3-) zig-zag chains and infinite chains formed by the alternate connection of lno(8) polyhedra and lio(4) tetrahedra run parallel to the b-axis in the structure. the energy-band structures, density of states, the chemical bonds, and optical properties have been investigated by density functional methods for liyb(po(3))(4). (c) 2008 elsevier b.v. all rights reserved. |
WOS关键词 | CRYSTAL-STRUCTURE ; RBPRP4O12 ; CSPRP4O12 ; GROWTH |
WOS研究方向 | Chemistry |
WOS类目 | Chemistry, Physical |
语种 | 英语 |
出版者 | ELSEVIER SCIENCE BV |
WOS记录号 | WOS:000261537800004 |
内容类型 | 期刊论文 |
URI标识 | http://www.corc.org.cn/handle/1471x/2388493 |
专题 | 中国科学院大学 |
通讯作者 | Cheng, Wen-Dan |
作者单位 | Chinese Acad Sci, Fujian Inst Res Struct Matter, Grad Sch, State Key Lab Struct Chem, Fuzhou 350002, Fujian, Peoples R China |
推荐引用方式 GB/T 7714 | Fang, Ming,Cheng, Wen-Dan,Xie, Zhi,et al. A series of lithium rare earth polyphosphates [liln(po(3))(4)] (ln = tb, ho, yb) and their structural, optical, and electronic properties[J]. Journal of molecular structure,2008,891(1-3):25-29. |
APA | Fang, Ming.,Cheng, Wen-Dan.,Xie, Zhi.,Zhang, Hao.,Zhao, Dan.,...&Yang, Song-Lin.(2008).A series of lithium rare earth polyphosphates [liln(po(3))(4)] (ln = tb, ho, yb) and their structural, optical, and electronic properties.Journal of molecular structure,891(1-3),25-29. |
MLA | Fang, Ming,et al."A series of lithium rare earth polyphosphates [liln(po(3))(4)] (ln = tb, ho, yb) and their structural, optical, and electronic properties".Journal of molecular structure 891.1-3(2008):25-29. |
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