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American Physical Society, Physical review B, 15(74)

DOI: 10.1103/physrevb.74.155123

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Analysis of scanning tunneling microscopy images of the charge-density-wave phase in quasi-one-dimensionalRb0.3MoO3

Journal article published in 2006 by E. Machado-Charry, P. Ordejón ORCID, E. Canadell, C. Brun, Z. Z. Wang
This paper was not found in any repository, but could be made available legally by the author.
This paper was not found in any repository, but could be made available legally by the author.

Full text: Unavailable

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Data provided by SHERPA/RoMEO

Abstract

The experimental STM images for the CDW phase of the blue bronze RbMoO3 have been successfully explained on the basis of first-principles DFT calculations. Although the density of states near the Fermi level strongly concentrates in two of the three types of Mo atoms Mo-II and Mo-III, the STM measurement mostly probes the contribution of the uppermost O atoms of the surface, associated with the Mo-IO6 octahedra. In addition, it is found that the surface concentration of Rb atoms plays a key role in determining the surface nesting vector and hence the periodicity of the CDW modulation. Significant experimental inhomogeneities of the b* surface component of the wavevector of the modulation, probed by STM, are reported. The calculated changes in the surface nesting vector are consistent with the observed experimental inhomogeneities. Comment: 4 pages 5 Figures