2008/08/31 by K. -W. Lee, Kwan-Woo Lee, Víctor Pardo +3 · 5 citations
Business, Management and Accounting · Chemistry · Materials Science · Physics and Astronomy · #Chalcogenide #Chemistry #Cluster (spacecraft) #Computer science #Condensed matter physics #Corporate Taxation and Avoidance #Crystallography #Ferrimagnetism #Iron-based superconductors research #Magnetic field #Magnetism #Magnetization #Materials science #Metal #Metallurgy #Physics #Quantum mechanics #Rare-earth and actinide compounds #Superconductivity #Vacancy defect #cond-mat.supr-con
paper · pdf · doi:10.1103/physrevb.78.174502
published as Phys. Rev. B 78, 174502 (2008) · 6 pages, 5 embedded figures
openalex publication_date 2008/11/04 · arxiv created 2008/11/10 · arxiv updated 2009/12/01 · openalex created_date 2016/06/24 · openalex updated_date 2026/08/05
To study the microscopic electronic and magnetic interactions in the substoichiometric iron chalcogenide FeSe_1\ensuremath-x which is observed to superconduct at x\ensuremath≈(1)/(8) up to Tc=27 K, we use first principles methods to study the Se vacancy in this nearly magnetic FeSe system. The vacancy forms a ferrimagnetic cluster of eight Fe atoms, which for the ordered x=(1)/(8) alloy leads to half-metallic conduction. Similar magnetic clusters are obtained for FeTe_1\ensuremath-x and for BaFe2As2 with an As vacancy although neither of these are half-metallic. Based on fixed spin-density results, we suggest the low-energy excitations in FeSe_1\ensuremath-x are antiparamagnonlike with short correlation length.