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Structure of the charge-density wave in (TaSe4)2I

Title data

van Smaalen, Sander ; Lam, Erwin J. ; Lüdecke, Jens:
Structure of the charge-density wave in (TaSe4)2I.
In: Journal of Physics: Condensed Matter. Vol. 13 (2001) Issue 44 . - pp. 9923-9936.
ISSN 1361-648X
DOI: https://doi.org/10.1088/0953-8984/13/44/308

Official URL: Volltext

Abstract in another language

(TaSe 4 ) 2 I is a quasi-one-dimensional (1D) electrical conductor. It exhibits a phase transition at T CDW = 263 K towards a charge-density-wave (CDW) state at low temperatures. We report a full structure refinement of the incommensurately modulated structure in the CDW state at T = 110 K against synchrotron radiation, single-crystal x-ray diffraction data. At room temperature the crystal structure has tetragonal symmetry with space group I 422. In the CDW state each main reflection in the x-ray scattering is surrounded by eight incommensurate satellites at (±0.064,±0.064,±0.151). The CDW state is found to comprise four domains, and it is characterized by one modulation wavevector. With respect to a √2×√2×1 supercell it has the symmetry of the superspace group F 2(0,β,γ) with β = 0.128 and γ = 0.151. The first part of the modulation is found to be a transverse acoustic wave, involving amplitudes of similar magnitudes of about 0.13 Å on all atoms. The second part of the modulation involves displacements of the Ta atoms of about 0.03 Å, that are parallel to the 1D chains. These are interpreted as reflecting the CDW. A Landau free-energy model is developed, that shows that symmetry arguments allow the phase transition to be second order.

Further data

Item Type: Article in a journal
Refereed: Yes
Institutions of the University: Faculties > Faculty of Mathematics, Physics und Computer Science > Group Material Sciences > Chair Crystallography
Faculties > Faculty of Mathematics, Physics und Computer Science > Group Material Sciences > Chair Crystallography > Chair Crystallography - Univ.-Prof. Dr. Sander van Smaalen
Faculties
Faculties > Faculty of Mathematics, Physics und Computer Science
Faculties > Faculty of Mathematics, Physics und Computer Science > Group Material Sciences
Result of work at the UBT: Yes
DDC Subjects: 500 Science > 530 Physics
Date Deposited: 22 Mar 2016 08:05
Last Modified: 22 Mar 2016 08:05
URI: https://eref.uni-bayreuth.de/id/eprint/31964