2014/01/31 by Akira Miura, Masanori Nagao, Takahiro Takei +3 · 62 citations
Chemistry · Materials Science · Mathematics · Physics and Astronomy · #Analytical Chemistry (journal) #Chemistry #Condensed matter physics #Crystal (programming language) #Crystal structure #Crystallography #Diffraction #Distortion (music) #Doping #Electrical resistivity and conductivity #Geometry #Iron-based superconductors research #Materials science #Mathematics #Optics #Optoelectronics #Physics #Physics of Superconductivity and Magnetism #Plane (geometry) #Single crystal #Superconductivity #Superconductivity in MgB2 and Alloys #cond-mat.supr-con
paper · pdf · doi:10.1016/j.jssc.2014.01.035
published in Journal of Solid State Chemistry 212, 213-217 (Elsevier BV) · Journal of Solid State Chemistry
openalex publication_date 2014/02/03 · arxiv created 2014/02/11 · arxiv updated 2014/02/12 · openalex created_date 2016/06/24 · openalex updated_date 2026/08/05
The crystal structures of superconducting LaO1-xFxBiS2 (x ~ 0.23, 0.46) were determined by single-crystal X-ray diffraction analysis. Their space group was P4/nmm. Distortion of the Bi-S plane changed when the F content was increased from 0.23 to 0.46, and a nearly flat Bi-S plane was formed at x ~ 0.46. Computational calculations supported this effect of F doping on distortion of Bi-S plane. LaO1-xFxBiS2 with higher F contents were computationally predicted to be thermodynamically more unstable under ambient pressure. We discussed the bonding, conductivities, and synthetic routes of LaO1-xFxBiS2.
