Structure of the two-dimensional incommensurate charge-density wave in (PO₂)₄(WO₃)₈ at 20 K

Title data

Lüdecke, Jens ; Jobst, Andreas ; Geupel, Sandra ; van Smaalen, Sander:
Structure of the two-dimensional incommensurate charge-density wave in (PO₂)₄(WO₃)₈ at 20 K.
In: Physical Review B. Vol. 64 (2001) Issue 10 . - No. 104105.
ISSN 0163-1829
DOI: https://doi.org/10.1103/PhysRevB.64.104105

Official URL:

Abstract in another language

The incommensurate charge-density waves (CDW’s) in the m=4 phosphate bronze (PO2)4(WO3)2m have been studied by synchrotron-radiation x-ray scattering. The CDW is found to correspond to a 2−q state for all temperatures below the first phase transition at Tc1=80 K. The second phase transition at Tc2=52 K is found to involve the development of mixed second-order satellites within the primary CDW. The incommensurately modulated structure has been determined at T=20 K. The structure remains orthorhombic down to T=20 K. At 20 K the lattice parameters are a=5.294(1) Å, b=6.591(2) Å, and c=17.415(16) Å. The two-dimensional CDW is characterized by the modulation wave vectors q1=[0.330(2),0.292(2),0.000(2)] and q2=(−0.330,0.292,0). The (3+2)D superspace group was found as P212121(α,β,0)(−α,β,0). The primary CDW comprises the satellite reflections (hklm1m2) with (m1m2) equal to (±1,0) and (0,±1). Below Tc2 additional satellite reflections develop, that correspond to (m1m2)=±(1,−1). Accordingly, harmonic modulation amplitudes (1,0), (0,1), and (1,−1) were incorporated into the structure model. Refinement against 4970 observed reflection intensities resulted in a fit with R=0.039. The periodic lattice distortion shows that the CDW is located at the centers of the WO3 slabs. The CDW is interpreted in terms of the formation of clusters of six tungsten atoms, that are linked together to form larger clusters of 12 to 18 atoms.

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 07:47
Last Modified:	26 Aug 2022 07:07
URI:	https://eref.uni-bayreuth.de/id/eprint/31959