Lattice expansion from isotope substitution in the Iron based superconductors

Details Lattice expansion from isotope substitution in the Iron based superconductors Lattice expansion from isotope substitution in the Iron based superconductors

2011-06-27

arxiv.org/abs/1106.5332v1

Phys. Rev. B 84, 092507 (2011)

Physics

Condensed Matter

Superconductivity

4 pages, 3 figures

Scientific paper

10.1103/PhysRevB.84.092507

We estimate the changes in lattice parameters due to iron isotope substitution in the iron-based high temperature superconductors using a variational calculation based on the anharmonicity of the Fe-As(Se) bond. For BaFe2As2 and 57Fe to 54$Fe substitution we find a c-axis expansion of 1 10^{-3}{\AA} and in-plane a-axis contraction of 1 10^{-5}{\AA} at 250K in good agreement with experimental values on (Ba,K)Fe2As2 for which a negative isotope exponent \alpha=-\frac{d\ln T_c}{d\ln m}<0 was found [P.M. Shirage et al., Phys. Rev. Lett. 103, 257003 (2009)]. For FeSe in contrast we find an expansion for both a and c lattice parameters. We discuss the relevance of these isotope induced changes of lattice parameters to the isotope effect in light of the well established sensitivity to the Fe-As(Se) coordination.

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