Lattice expansion from isotope substitution in iron-based superconductors
Oleg Kim, Mats Granath
DOI 10.1103/PhysRevB.84.092507 · Physical Review B
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Abstract
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 54Fe substitution we find a c-axis expansion of 1×10−3 Å and in-plane a-axis contraction of 1×10−5 Å at 250 K in good agreement with experimental values on (Ba,K)Fe2As2 for which a negative isotope exponent α=−dlnTcdlnm<0 was found [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.
Source-reported materials — not catalogue approval
| Formula | Reported Tc (K) | Pressure (GPa) | Type |
|---|---|---|---|
| BaFe2As2 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | — | Pressure not reported | unknown |
| FeSe Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | — | Pressure not reported | unknown |
| SmFeAsO Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | — | Pressure not reported | unknown |
| La2-xSrxCuO4 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | — | Pressure not reported | unknown |
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