Neutron diffraction study of potassium-graphite intercalation compounds at high pressure: Staging transitions and one-dimensional disorder

H. J. Kim, J. E. Fischer, D. B. McWhan, and J. D. Axe
Phys. Rev. B 33, 1329 – Published 15 January 1986
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Abstract

Detailed (00L) neutron scattering profiles have been measured versus hydrostatic pressure (0<P<20 kbar) at room temperature for potassium-graphite intercalation compounds KCx with 8<x<40. The average density of filled galleries along the c axis decreases with increasing P, implying a concomitant increase in the (average) areal K density within a gallery. We observe both large P regions exhibiting continuous evolution of different stages, and narrow P regions where the average stage changes abruptly. The Hendricks-Teller model of one-dimensional disorder is used to fit entire diffraction profiles over extended q ranges. Some of the high-P staging and disorder effects are attributable to P-induced in-plane intercalate densification, the sequence of gallery occupancy and its perfection being a secondary consequence. Other features are entirely controlled by interlayer interactions: e.g., a pure stage-4 phase evolves asymptotically with increasing P at 67 kbar for 36<x<39, whereas a commensurate 2×2 in-plane density would be compatible with a pure stage-4 phase only for x=32.0. We demonstrate from the fits that the fractional stage-(3/2) phase in KC8, reported earlier by us to occur between 15 and 19 kbar, exhibits c-axis correlations no worse than other high-P phases, indicating that this unusual structure represents a true equilibrium phase and does not result simply from random layer sequencing.

  • Received 22 July 1985

DOI:https://doi.org/10.1103/PhysRevB.33.1329

©1986 American Physical Society

Authors & Affiliations

H. J. Kim and J. E. Fischer

  • Laboratory for Research on the Structure of Matter, University of Pennsylvania, Philadelphia, Pennsylvania 19104

D. B. McWhan

  • AT&T Bell Laboratories, Murray Hill, New Jersey 07974

J. D. Axe

  • Brookhaven National Laboratory, Upton, New York 11973

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Issue

Vol. 33, Iss. 2 — 15 January 1986

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