Possible strong electron-lattice interaction and giant magneto-elastic effects in Fe-pnictides

TL;DR

This paper explores the significant role of electron-lattice interactions, especially electron-phonon coupling via electronic polarization, in Fe-pnictides, influencing superconductivity and magneto-elastic effects beyond traditional band structure predictions.

Contribution

It introduces a model where electron-phonon interaction due to electronic polarization is much stronger than LDA calculations suggest, explaining superconductivity and magneto-elastic phenomena in Fe-pnictides.

Findings

Enhanced electron-phonon coupling due to electronic polarization.

Significant positive isotope effect on superconducting temperature.

Giant magneto-elastic effects driven by potential energy changes.

Abstract

The possibility for an appreciable many-body contribution to the electron-phonon interaction (EPI) in Fe-pnictides is discussed in the model where EPI is due to the electronic polarization of As- ions. The EPI-pol coupling ismuch larger than the one obtained in the LDA band structure calculations. It contributes significantly to the intra-band s-wave pairing and an appreciable positive As-isotope effect in the superconducting critical temperature is expected. In the Fe-breathing mode the linear (in the Fe-displacements) EPI-pol coupling vanishes, while the non-linear (quadratic) one is very strong. The part of the EPI-pol coupling, which is due to the "potential" energy (the Hubbard U) changes, is responsible for the giant magneto-elastic effects in MFe_{2}As_{2}, M=Ca, Sr, Ba since it gives much larger contribution to the magnetic pressure than the band structure effects do. This mechanism is contrary to the LDA prediction where the magneto-elastic effects are due to the "kinetic" energy effects, i.e. the changes in the density of states by the magneto-elastic effects. The proposed $EPI-pol is expected to be operative (and strong) in other Fe-based superconductors with electronically polarizable ions such as Se, Te, S etc., and in high-temperature superconductors due to the polarizability of the O-ions.