How do electrons travel in unusual metallic fluorides of Ag2+?

被引:9
|
作者
Jaron, T
Grochala, W
Hoffmann, R
机构
[1] Univ Warsaw, Dept Chem, PL-02093 Warsaw, Poland
[2] Cornell Univ, Dept Chem & Biol Chem, Ithaca, NY 14853 USA
[3] Cornell Univ, Cornell Ctr Mat Res, Ithaca, NY 14853 USA
来源
PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS | 2005年 / 242卷 / 01期
关键词
D O I
10.1002/pssb.200409074
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
We investigate computationally two representative examples of higher fluorides of Ag(II), namely KAgF3 and AgFBF4. Both compounds formally contain linear (Ag-F)(+) chains, in which divalent silver is coordinated additionally by four fluoride anions. For AgFBF4, the equatorial coordination is weak, and leads to metallic conductivity in ID, as emerges from our band structure calculations. For KAgF3, however, the axial coordination is very strong, and the compound is virtually a 2D metal (i.e. it is mainly the x(2)-y(2) orbitals of Ag that participate in electronic transport in this interesting material). (C) 2005 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
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页码:R1 / R3
页数:3
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