From antiferromagnetism to superconductivity in Fe 1+y(Te1-x,Sex) (0 < x < 0.20): a neutron powder diffraction analysis

The nuclear and magnetic structure of Fe1+y(Te1-x,Sex) (0 < x < 0.20) compounds was analyzed between 2 K and 300 K by means of Rietveld refinement of neutron powder diffraction data. Samples with x < 0.075 undergo a tetragonal to monoclinic phase transition at low temperature, whose critical temperature decreases with increasing Se content; this structural transition is strictly coupled to a long range antiferromagnetic ordering at the Fe site. Both the transition to a monoclinic phase and the long range antiferromagnetism are suppressed for 0.10 < x < 0.20. The onset of the structural and of the magnetic transition remains coincident with the increase of Se substitution. The low temperature monoclinic crystal structure has been revised. Superconductivity arises for x > 0.05, therefore a significant region where superconductivity and long range antiferromagnetism coexist is present in the pseudo-binary FeTe - FeSe phase diagram.
33 pages, 4 tables, 13 figures