Cation vacancy order in the K0.8+xFe1.6-ySe2 system: Five-fold cell expansion accommodates 20% tetrahedral vacancies

被引：67
作者：
Bacsa, J. [1 ]
Ganin, A. Y. [1 ]
Takabayashi, Y. [2 ]
Christensen, K. E. [3 ]
Prassides, K. [2 ]
Rosseinsky, M. J. [1 ]
Claridge, J. B. [1 ]
机构：
[1] Univ Liverpool, Dept Chem, Liverpool L69 7ZD, Merseyside, England
[2] Univ Durham, Dept Chem, Durham DH1 3LE, England
[3] Diamond Light Source, Didcot OX11 0DE, Oxon, England
来源：
CHEMICAL SCIENCE | 2011年 / 2卷 / 06期
基金：
英国工程与自然科学研究理事会;
关键词：
SUPERCONDUCTIVITY;
D O I：
10.1039/c1sc00070e
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
Ordering of the tetrahedral site vacancies in two crystals of refined compositions K0.93(1)Fe1.52(1)Se2 and K0.862(3)Fe1.563(4)Se2 produces a fivefold expansion of the parent ThCr2Si2 unit cell in the ab plane which can accommodate 20% vacancies on a single site within the square FeSe layer. The iron charge state is maintained close to +2 by coupling of the level of alkali metal and iron vacancies, producing a potential doping mechanism which can operate at both average and local structure levels.
引用
收藏
页码：1054 / 1058
页数：5
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