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Title: Thermal evolution of antiferromagnetic correlations and tetrahedral bond angles in superconducting FeTe 1-xSe x

It has recently been demonstrated that dynamical magnetic correlations measured by neutron scattering in iron chalcogenides can be described with models of short-range correlations characterized by particular choices of four-spin plaquettes, where the appropriate choice changes as the parent material is doped towards superconductivity. Here we apply such models to describe measured maps of magnetic scattering as a function of two-dimensional wave vectors obtained for optimally superconducting crystals of FeTe 1–xSe x. We show that the characteristic antiferromagnetic wave vector evolves from that of the bicollinear structure found in underdoped chalcogenides (at high temperature) to that associated with the stripe structure of antiferromagnetic iron arsenides (at low temperature); these can both be described with the same local plaquette, but with different interplaquette correlations. While the magnitude of the low-energy magnetic spectral weight is substantial at all temperatures, it actually weakens somewhat at low temperature, where the charge carriers become more itinerant. The observed change in spin correlations is correlated with the dramatic drop in the electronic scattering rate and the growth of the bulk nematic response upon cooling. Lastly, we also present powder neutron diffraction results for lattice parameters in FeTe 1–xSe x indicating that the tetrahedral bond angle tendsmore » to increase towards the ideal value upon cooling, in agreement with the increased screening of the crystal field by more itinerant electrons and the correspondingly smaller splitting of the Fe 3d orbitals.« less
 [1] ;  [2] ;  [3] ;  [4] ;  [2] ;  [5] ;  [5] ;  [5] ;  [1] ;  [2] ;  [2] ;  [2]
  1. Univ. of California, Berkeley, CA (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
  2. Brookhaven National Lab. (BNL), Upton, NY (United States)
  3. Brookhaven National Lab. (BNL), Upton, NY (United States); Stony Brook Univ., Stony Brook, NY (United States)
  4. Nanjing Univ., Nanjing (China)
  5. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Publication Date:
Report Number(s):
Journal ID: ISSN 2469-9950; PRBMDO; R&D Project: PO010; KC0201060
Grant/Contract Number:
SC0012704; SC00112704; AC02-05CH11231; AC05-00OR22725; AC02- 05CH11231; 11374143; NCET-13-0282
Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 93; Journal Issue: 10; Journal ID: ISSN 2469-9950
American Physical Society (APS)
Research Org:
Brookhaven National Laboratory (BNL), Upton, NY (United States); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Spallation Neutron Source (SNS); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
OSTI Identifier:
Alternate Identifier(s):
OSTI ID: 1242565; OSTI ID: 1261393; OSTI ID: 1454458