Structure of Ca0.4K0.6(NO3)1.4 from the glass to the liquid state

Charbel Tengroth, Jan Swenson, Alessandro Isopo, and Lars Börjesson
Phys. Rev. B 64, 224207 – Published 21 November 2001
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Abstract

We have investigated the structure of a model fragile glass former Ca0.4K0.6(NO3)1.4(CKN) by using neutron and x-ray diffraction and reverse Monte Carlo modeling in a temperature range covering the glass transition. The results show that the structure of the glass phase contains, in addition to short-range charge ordering, intermediate-range ordering that is due to fluctuation of nitrate ion concentration in the range 3–15 Å. Furthermore, the nitrate ions are orientationally correlated and form chainlike substructures. Gradual changes of the structure factor were observed in the Q range 1–5 Å1 on passing through the glass transition temperature, which can partly be attributed to changes in density. However, the orientational correlation between the planar NO3 ions present in the glass phase is lost in the liquid phase.

  • Received 18 January 2001

DOI:https://doi.org/10.1103/PhysRevB.64.224207

©2001 American Physical Society

Authors & Affiliations

Charbel Tengroth1,*, Jan Swenson1, Alessandro Isopo2, and Lars Börjesson1

  • 1Applied Physics, Chalmers University of Technology, S-41296 Göteborg, Sweden
  • 2Dept. of Chemistry, INFM, University of Rome “La Sapienza,” I-00185 Rome, Italy

  • *Present address: Dept. of Chemistry, Princeton University, Princeton, New Jersey 08544.

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Vol. 64, Iss. 22 — 1 December 2001

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