Suppression of the structural phase transition and lattice softening in slightly underdoped Ba1-xKxFe2As2 with electronic phase separation

Publikation: Beitrag in FachzeitschriftForschungsartikelBeigetragenBegutachtung

Beitragende

  • D. S. Inosov - , Max Planck Institute for Gravitational Physics (Albert Einstein Institute) (Autor:in)
  • A. Leineweber - , Max Planck Institute for Gravitational Physics (Albert Einstein Institute) (Autor:in)
  • Xiaoping Yang - , Max Planck Institute for Gravitational Physics (Albert Einstein Institute) (Autor:in)
  • J. T. Park - , Max Planck Institute for Gravitational Physics (Albert Einstein Institute) (Autor:in)
  • N. B. Christensen - , Universität Kopenhagen (Autor:in)
  • R. Dinnebier - , Max Planck Institute for Gravitational Physics (Albert Einstein Institute) (Autor:in)
  • G. L. Sun - , Max Planck Institute for Gravitational Physics (Albert Einstein Institute) (Autor:in)
  • Ch. Niedermayer - , Paul Scherrer Institute (Autor:in)
  • D. Haug - , Max Planck Institute for Gravitational Physics (Albert Einstein Institute) (Autor:in)
  • P. W. Stephens - , Stony Brook University (Autor:in)
  • J. Stahn - , Paul Scherrer Institute (Autor:in)
  • O. Khvostikova - , Leibniz-Institut für Festkörper- und Werkstoffforschung Dresden (Autor:in)
  • C. T. Lin - , Max Planck Institute for Gravitational Physics (Albert Einstein Institute) (Autor:in)
  • O. K. Andersen - , Max Planck Institute for Gravitational Physics (Albert Einstein Institute) (Autor:in)
  • B. Keimer - , Max Planck Institute for Gravitational Physics (Albert Einstein Institute) (Autor:in)
  • V. Hinkov - , Max Planck Institute for Gravitational Physics (Albert Einstein Institute) (Autor:in)

Abstract

We present x-ray powder diffraction (XRPD) and neutron-diffraction measurements on the slightly underdoped iron-pnictide superconductor Ba1-xKxFe2As2, T-c=32 K. Below the magnetic-transition temperature T-m=70 K, both techniques show an additional broadening of the nuclear Bragg peaks, suggesting a weak structural phase transition. However, macroscopically the system does not break its tetragonal symmetry down to 15 K. Instead, XRPD patterns at low temperature reveal an increase in the anisotropic microstrain proportionally in all directions. We associate this effect with the electronic phase separation previously observed in the same material and with the effect of lattice softening below the magnetic phase transition. We employ density-functional theory to evaluate the distribution of atomic positions in the presence of dopant atoms both in the normal and magnetic states and to quantify the lattice softening, showing that it can account for a major part of the observed increase in the microstrain.

Details

OriginalspracheEnglisch
Aufsatznummer224503
Seitenumfang7
FachzeitschriftPhysical Review B
Jahrgang79
Ausgabenummer22
PublikationsstatusVeröffentlicht - Juni 2009
Peer-Review-StatusJa
Extern publiziertJa

Externe IDs

Scopus 67650001836

Schlagworte

Schlagwörter

  • arsenic alloys, barium alloys, crystal symmetry, density functional theory, doping profiles, iron alloys, magnetic transitions, neutron diffraction, potassium alloys, solid-state phase transformations, superconducting materials, X-ray diffraction, INITIO MOLECULAR-DYNAMICS, TOTAL-ENERGY CALCULATIONS, SPIN-DENSITY-WAVE, CRYSTAL-STRUCTURES, 43 K, SUPERCONDUCTIVITY, DIFFRACTION, ORDER, HOLE

Bibliotheksschlagworte