Thursday, February 21, 2013

1302.4748 (Michele Casula et al.)

First-principles calculations of the improper s-wave symmetry for the
electronic pairing in iron-based superconductors
   [PDF]

Michele Casula, Sandro Sorella
By means of space-group symmetry arguments, we argue that the electronic pairing in iron-based high temperature superconductors shows a structure which is a linear combination of planar s-wave and d-wave symmetry channels, both preserving the 3-dimensional A_1g irreducible representation of the corresponding crystal point-group. We demonstrate that the s- and d-wave channels are determined by the parity under reflection of the electronic orbitals through the iron planes, and by improper rotations around the iron sites. We provide evidence of these general properties by performing accurate quantum Monte Carlo ab-initio calculations of the pairing function, for a FeSe lattice with tetragonal experimental geometry at ambient pressure. We find that this picture survives even in the FeSe under pressure and at low temperatures, when the tetragonal point-group symmetry is slightly broken. Our theory can rationalize and explain a series of contradictory experimental findings, such as the observation of twofold symmetry in the FeSe superconducting phase, the anomalous drop of T_c with Co-impurity in LaFeAsO_(1-x)F_x, the s-to-d-wave gap transition in BaFe_2As_2 under K doping, and the nodes appearing in the LiFeAs superconducting gap upon P isovalent substitution.
View original: http://arxiv.org/abs/1302.4748

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