Structural, magnetic, and superconducting properties of Ba 1-xNaxFe2As2

S. Avci*, J. M. Allred, O. Chmaissem, D. Y. Chung, S. Rosenkranz, J. A. Schlueter, H. Claus, A. Daoud-Aladine, D. D. Khalyavin, P. Manuel, A. Llobet, M. R. Suchomel, M. G. Kanatzidis, R. Osborn

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

59 Scopus citations


We report the results of a systematic investigation of the phase diagram of the iron-based superconductor system, Ba1-xNaxFe 2As2, from x=0.1 to x=1.0 using high-resolution neutron and x-ray diffraction and magnetization measurements. We find that the coincident structural and magnetic phase transition to an orthorhombic structure with space group Fmmm and a striped antiferromagnet with space group F Cmmm in Ba1-xNa xFe2As2 is of first order. A complete suppression of the magnetic phase is observed by x = 30%, and bulk superconductivity occurs at a critical concentration near 15%. We compare our findings to the previously reported results of the hole-doped Ba 1-xKxFe2As2 solid solution in order to resolve the differing effects of band filling and A-site cation size on the properties of the magnetic and superconducting ground states. The substantial size difference between Na and K causes various changes in the lattice trends, yet the overarching property phase diagram from the Ba1-xK xFe2As2 phase diagram carries over to the Ba1-xNaxFe2As2 solid solution. We note that the composition dependence of the c axis turns over from positive to negative around x = 0.35, unlike the K-substituted materials. We show that this can be understood by invoking steric effects; primarily the Fe 2As2 layer shape is dictated mostly by the electronic filling, which secondarily induces an interlayer spacing adjusted to compensate for the given cation volume. This exemplifies the primacy of even subtle features in the Fe2As2 layer in controlling both the structure and properties in the uncollapsed 122 phases.

Original languageEnglish (US)
Article number094510
JournalPhysical Review B - Condensed Matter and Materials Physics
Issue number9
StatePublished - Sep 20 2013

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics


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