Note: When clicking on a Digital Object Identifier (DOI) number, you will be taken to an external site maintained by the publisher.
Some full text articles may not yet be available without a charge during the embargo (administrative interval).
What is a DOI Number?
Some links on this page may take you to non-federal websites. Their policies may differ from this site.
-
The V 1−x Mo x O 2 phase diagram has high structural and electronic complexity that is driven by strong, short-range correlations that compete with the long-range rutile crystal structure. The substitution regime near 50% Mo occupancy is no exception, but there has so far been no significant progress in determining the actual structure. Reported here is a combined study using single crystal X-ray diffraction, powder X-ray diffraction, and representational analysis to examine both the local and crystallographically averaged atomic structures simultaneously near x = 0.50. Between about x = 0.50 and 0.60, the average structure of V 1−x Mo x O 2 is the parent rutile phase, but the local symmetry is broken by atomic displacements that are best described using the orthorhombic subgroup Fmmm . This model is locally similar to the two-dimensionally ordered 2D-M2 phase recently reported in the compositional range 0.19 ≤ x ≤ 0.30, except the correlation length is much shorter in the 2D plane, and longer in the frustrated one, making it more isotropic. This work also extends the 2D-M2 phase regime up to x = 0.43, and suggests that the local- Fmmm phase observed here can be seen as the end result of the continued suppression of the 2D-M2 phase through enhanced geometric frustration between the intrinsic order parameters. This suggests that other doped-rutile phases with elusive structures may also be dominated by similar short-range correlations that are hidden in the diffuse scattering.more » « less
An official website of the United States government
