Copper position in type-I Ba8CU4Si42 clathrate
Yang, L; Wang, Y; Liu T(刘涛); Hu TD(胡天斗); Liu, T; Hu, TD; Li, BX; Stahl, K; Chen, SY; Li, MY; Shen, P; Lu, GL; Wang, YW; Jiang, JZ
刊名JOURNAL OF SOLID STATE CHEMISTRY
2005
卷号178期号:6页码:1773-1777
关键词synchrotron radiation EXAFS silicides semiconductor FP-LMTO
学科分类Chemistry
DOI10.1016/j.jssc.2005.03.015
通讯作者Zhejiang Univ, Dept Mat Sci & Engn, Lab New Structed Mat, Hangzhou 310027, Peoples R China ; Chinese Acad Sci, Inst High Energy Phys, Beijing, Peoples R China ; Hangzhou Teacher Coll, Dept Phys, Hangzhou 310012, Peoples R China ; Tech Univ Denmark, Dept Chem, DK-2800 Lyngby, Denmark ; I Shou Univ, Dept Mech Engn, Kaohsiung, Taiwan ; Natl Sun Yat Sen Univ, Inst Mat Sci & Engn, Kaohsiung, Taiwan
文章类型Article
英文摘要Local structure of Cu in a type-I Ba8Cu4Si42 Clathrate has been investigated by synchrotron X-ray powder diffraction, Cu K-edge extended X-ray absorption fine spectroscopy, X-ray absorption near edge spectroscopy (XANES) and theoretical calculation. It is found that XANES spectra cannot be explained by the substitution of Cu atoms at Si16i, and Si24k positions. Our calculations show that the binding energies of the Si atom in Si16i, Si24k and Si6c positions are 9.000, 9.495 and 8.911 eV, respectively. Both experimental and theoretical results support that Cu atoms in the type-I Ba8Cu4Si42 clathrate, as a doped element, prefer to occupy the least-binding Si, i.e., the Si6c sites. No structural change between 112 and 300 K was observed and the (100)-faceted cubic crystal has negligible distortion/ordering according to transmission electron microscopy. (c) 2005 Elsevier Inc. All rights reserved.
类目[WOS]Chemistry, Inorganic & Nuclear ; Chemistry, Physical
研究领域[WOS]Chemistry
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语种英语
WOS记录号WOS:000229753200005
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被引频次:15[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://ir.ihep.ac.cn/handle/311005/239516
专题中国科学院高能物理研究所_多学科研究中心_期刊论文
作者单位中国科学院高能物理研究所
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Yang, L,Wang, Y,Liu T,et al. Copper position in type-I Ba8CU4Si42 clathrate[J]. JOURNAL OF SOLID STATE CHEMISTRY,2005,178(6):1773-1777.
APA Yang, L.,Wang, Y.,刘涛.,胡天斗.,Liu, T.,...&Jiang, JZ.(2005).Copper position in type-I Ba8CU4Si42 clathrate.JOURNAL OF SOLID STATE CHEMISTRY,178(6),1773-1777.
MLA Yang, L,et al."Copper position in type-I Ba8CU4Si42 clathrate".JOURNAL OF SOLID STATE CHEMISTRY 178.6(2005):1773-1777.
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