Transition from a phase-segregated state to single-phase incommensurate sodium ordering in Na_xCoO_2 with x \approx 0.53

Details Transition from a phase-segregated state to single-phase incommensurate sodium ordering in Na_xCoO_2 with x \approx 0.53 Transition from a phase-segregated state to single-phase incommensurate sodium ordering in Na_xCoO_2 with x \approx 0.53

2010-04-28

arxiv.org/abs/1004.4990v2

Phys. Rev. B 82 (2010) 024103

Physics

Condensed Matter

Strongly Correlated Electrons

Corrected/improved version

Scientific paper

10.1103/PhysRevB.82.024103

Synchrotron X-ray diffraction investigations of two single crystals of Na_xCoO_2 from different batches with composition x = 0.525-0.530 reveal homogeneous incommensurate sodium ordering with propagation vector (0.53 0.53 0) at room-temperature. The incommensurate (qq0) superstructure exists between 220 K and 430 K. The value of q varies between q = 0.514 and 0.529, showing a broad plateau at the latter value between 260 K and 360 K. On cooling, unusual reversible phase segregation into two volume fractions is observed. Below 220 K, one volume fraction shows the well-known commensurate orthorhombic x = 0.50 superstructure, while a second volume fraction with x = 0.55 exhibits another commensurate superstructure, presumably with a 6a x 6a x c hexagonal supercell. We argue that the commensurate-to-incommensurate transition is an intrinsic feature of samples with Na concentrations x = 0.5 + d with d ~ 0.03.

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