Abstract
The influence of a partial substitution with sulfur into Te sites on the crystal, electronic and magnetic structures of FeTe is investigated by DFT calculations. The results reveal a phase transition from the antiferromagnetic double-stripe order for pure FeTe to the single-stripe order for S-substituted samples, which coincides with the previously observed appearance of the superconducting state. The magnetic transition is caused by the variations of the average chalcogen position in the unit cell. The analyzed normal-state properties of Fe(Te,S) and Fe(Se;S) compounds pounds allow a detection of the well resolved nesting-driven magnetic fluctuations only for superconducting samples, consistent with their antiferromagnetic ground state. Thus, the role of an S-substitution is a suppression of the double-stripe antiferromagnetic order to give rise to the single-stripe correlations, which are associated with an occurrence of superconductivity in Fe(Te,S) solid solutions.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
