TY  - JOUR
AU  - Grzechnik, A.
AU  - Ueda, Y.
AU  - Yamauchi, T.
AU  - Hanfland, M.
AU  - Hering, P.
AU  - Potapkin, V.
AU  - Friese, K.
TI  - Structural stability of the Wadsley-type bronzes β − Ag $_{0.33}$ V $_{2}$ O $_{5}$ and β − Li $_{0.33}$ V $_{2}$ O $_{5}$ on compression: A breakdown of the two-leg ladder system in the nonsuperconducting high-pressure phase of β − Li $_{0.33}$ V $_{2}$ O $_{5}$
JO  - Physical review / B
VL  - 91
IS  - 17
SN  - 1098-0121
CY  - College Park, Md.
PB  - APS
M1  - FZJ-2015-04671
SP  - 174113
PY  - 2015
AB  - Structural stabilities of the Wadsley-type bronzes β−Ag0.33V2O5 and β−Li0.33V2O5 (both C2/m, Z = 6) have been studied with single-crystal x-ray diffraction in diamond anvil cells at room temperature to 8 and 13 GPa, respectively. β−Ag0.33V2O5 is stable at least to 8 GPa. β−Li0.33V2O5 undergoes two phase transitions at about 9 and 11 GPa due to relative displacements of the adjacent octahedral vanadate layers. In the intermediate phase between 9 and 11 GPa, very strong one-dimensional diffuse scattering is observed, indicating the presence of stacking faults. The structural refinements (C2/m, Z = 6) of the data above 11 GPa reveal that the layers of VO6 octahedra remain essentially intact. However, the relative position of the chains of edge-sharing VO5 tetragonal pyramids with respect to the octahedral layers is changed. As a result, the tunnels populated by the Li1+ cations collapse on compression. The distribution of the Li1+ cations in the vanadate framework is fully ordered in the polymorph above 11 GPa. The present structural data could be used to better understand the pressure-induced superconductivity in all the Wadsley-type bronzes β−A0.33V2O5 (A = Li, Na, Ag).
LB  - PUB:(DE-HGF)16
UR  - <Go to ISI:>//WOS:000355088800001
DO  - DOI:10.1103/PhysRevB.91.174113
UR  - https://juser.fz-juelich.de/record/202457
ER  -