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25 April 2024
 
  » arxiv » 0903.4721

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Influence of antiferromagnetic fluctuations on the pressure dependence of the critical temperature in FeSe
S. Chadov ; F. Casper ; S. Naghavi ; C. Felser ;
Date 28 Mar 2009
AbstractThe interplay between electronic structure, band nesting and antiferromagnetic fluctuations is of general interest for understanding the unconventional superconductivity. For the present study, the tetragonal phase of the superconducting FeSe was selected as model system. The electronic structure of the low-temperature high-pressure phase of FeSe was investigated by means of {it ab-initio} calculations to find the relation between the band nesting and the critical temperature as a function of pressure. The crystal structure for the highest $T_{ m C}$ was determined according to the criterion of the {it optimum} pairing conditions within the unconventional superconductivity regime which was suggested for this type of material by many authors. Those {it optimum} conditions are found by studying the band structure as function of lattice parameters that corresponds to the application of pressure. As a striking result, two sorts of antiferromagnetic fluctuations corresponding to the intra-layer as well as the inter-layer Fe-Fe coupling are identified. The structure corresponding to a strongest contribution of both mechanisms to the superconducting pairing is found to be in a very good agreement with the experimental crystal structure corresponding to a maximum of $T_{ m C}$ and qualitatively explains the pressure dependence observed in experiments.
Source arXiv, 0903.4721
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