Department of Applied Physics, University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656, Japan.
Quantum Physics Section, Kyushu Institute of Technology, 1-1 Sensui-cho, Tobata, Kitakyushu, Fukuoka 804-8550, Japan.
Phys Rev Lett. 2014 Jan 17;112(2):027002. doi: 10.1103/PhysRevLett.112.027002. Epub 2014 Jan 15.
To investigate the possibility of whether electron-phonon coupling can enhance orbital fluctuations in iron-based superconductors, we develop an ab initio method to construct the effective low-energy models including the phonon-related terms. With the derived effective electron-phonon interactions and phonon frequencies, we estimate the static part (ω=0) of the phonon-mediated effective on site intra- or interorbital electron-electron attractions as ∼-0.4 eV and exchange or pair-hopping terms as ∼-0.02 eV. We analyze the model with the derived interactions together with the Coulomb repulsions within the random phase approximation. We find that the enhancement of the orbital fluctuations due to the electron-phonon interactions is small, and that the spin fluctuations enhanced by the Coulomb repulsions dominate. It leads to the superconducting state with the sign reversal in the gap functions (s± wave).
为了研究电子-声子耦合是否能增强铁基超导体中的轨道涨落,我们开发了一种从头计算的方法来构建包含声子相关项的有效低能模型。利用推导出的有效电子-声子相互作用和声子频率,我们估计了声子中介的有效近邻内或近邻间电子-电子吸引的静态部分(ω=0)约为-0.4 eV,交换或对跳跃项约为-0.02 eV。我们分析了这个模型,使用了推导出的相互作用以及在随机相位近似下的库仑排斥。我们发现,电子-声子相互作用引起的轨道涨落增强很小,而库仑排斥增强的自旋涨落占主导地位。这导致超导态的能隙函数出现符号反转(s±波)。