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

J. Bacsa; A. Y. Ganin; Y. Takabayashi; K. E. Christensen; K. Prassides; M. J. Rosseinsky; J. B. Claridge

doi:10.1039/C1SC00070E

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

Superconductivity 2011-05-19 v3

Authors: J. Bacsa , A. Y. Ganin , Y. Takabayashi , K. E. Christensen , K. Prassides , M. J. Rosseinsky , J. B. Claridge

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Abstract

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.

Keywords

cation vacancy order tetrahedral vacancies K0.8+xFe1.6-ySe2 ThCr2Si2 structure doping mechanism

Cite

@article{arxiv.1102.0488,
  title  = {Cation vacancy order in the K0.8+xFe1.6-ySe2 system: five-fold cell expansion accommodates 20% tetrahedral vacancies},
  author = {J. Bacsa and A. Y. Ganin and Y. Takabayashi and K. E. Christensen and K. Prassides and M. J. Rosseinsky and J. B. Claridge},
  journal= {arXiv preprint arXiv:1102.0488},
  year   = {2011}
}

Comments

5 pages 3 figures accepted for publication in Chemical Science Chem. Sci., DOI:10.1039/C1SC00070E

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

Abstract

Keywords

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