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arXiv 0904.3512cond-mat.supr-concond-mat.str-el
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铁磷属元素化物中可能存在的强电子-晶格相互作用和巨磁弹性效应

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

Miodrag L. Kulic, Amir A. Haghighirad

摘要:

本文讨论了铁磷族化合物中电子-声子相互作用(EPI)的多体贡献的可能性,其中EPI是由于As-离子的电子极化引起的。EPI-pol耦合比LDA能带结构计算结果大得多。它有助于显着的带内s波配对和超导临界温度中的一个可观的正As同位素效应是预期的。在铁呼吸模式的线性(在铁位移)EPI-pol耦合消失,而非线性(二次)是非常强的。由于“位”能(Hubbard U)的变化而引起的EPI-pol耦合部分是造成MFe_{2} As_{2}(M=Ca,Sr,Ba)中巨磁弹性效应的原因,因为它对磁压的贡献比能带结构效应大得多。这种机制与LDA预测相反,LDA预测中的磁弹性效应是由于“动能”效应,即磁弹性效应引起的状态密度变化。预计所提出的$EPI-pol在具有电子可极化离子如Se、Te、S等的其他Fe基超导体中是有效的(并且是强的),以及在高温超导体中由于O-离子的极化性。

英文摘要:

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.

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