English

Doping-induced metallicity and coexistence of magnetic subsystems in {K$_{2}$Fe$_{4+x}$Se$_{5}$}

Materials Science 2012-09-04 v1 Superconductivity

Abstract

Electronic structure calculations are used to analyze the electronic and magnetic properties in {K2_{2}Fe4+x_{4+x}Se5_{5}}. Fe atoms can be divided into two distinct groups. The x=0x{=}0 (parent) compound forms an insulating, collinear, local moment phase with high N{\'{e}}el temperature. We show that large biquadratic exchange coupling and exchange-elastic interactions stabilize the magnetic order. For x>0x{>}0 the additional Fe atoms fill vacancy sites. They form impurity bands for small xx, which broaden as xx increases. They determine the states at the Fermi level and may be viewed as a magnetic subsystem separate from the host. Spin fluctuations are prevalent because magnetic interactions between the `defect' and the `parent' atoms are relatively weak, while chemical fluctuations are prevalent for low xx. Fluctuations of either type leads to the formation of a weakly metallic state. The unusual coexistence of the two magnetic subsystems offers a new perspective as to how superconductivity and strong antiferromagnetism can coexist. We argue that spin fluctuations of the impurity subsystem share common features with the Fe-pnictide superconductors.

Keywords

Cite

@article{arxiv.1205.6159,
  title  = {Doping-induced metallicity and coexistence of magnetic subsystems in {K$_{2}$Fe$_{4+x}$Se$_{5}$}},
  author = {Liqin Ke and Mark van Schilfgaarde and Vladimir Antropov},
  journal= {arXiv preprint arXiv:1205.6159},
  year   = {2012}
}