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Electronic structure of the kagome staircase compounds Ni3V2O8 and Co3V2O8
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Laverock, J., Chen, B., Preston, A. R. H., Smith, K. E., Wilson, Neil R., Balakrishnan, G., Glans, P. -A. and Guo, J. -H. (2013) Electronic structure of the kagome staircase compounds Ni3V2O8 and Co3V2O8. Physical Review B (Condensed Matter and Materials Physics), Volume 87 (Number 12). Article number 125133 . doi:10.1103/PhysRevB.87.125133 ISSN 1098-0121.
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Official URL: http://dx.doi.org/10.1103/PhysRevB.87.125133
Abstract
The electronic structure of the kagome staircase compounds, Ni3V2O8 and Co3V2O8, has been investigated using soft x-ray absorption, soft x-ray emission, and resonant inelastic x-ray scattering. Comparison between the two compounds, and with first-principles band structure calculations and crystal-field multiplet models, provides unique insight into the electronic structure of the two materials. Whereas the location of the narrow (Ni,Co) d bands is predicted to be close to EF, we experimentally find they lie deeper in the occupied O 2p and unoccupied V 3d manifolds, and determine their energy via measured charge-transfer excitations. Additionally, we find evidence for a dd excitation at 1.5 eV in Ni3V2O8, suggesting the V d states may be weakly occupied in this compound, contrary to Co3V2O8. Good agreement is found between the crystal-field dd excitations observed in the experiment and those predicted by atomic multiplet theory.
Item Type: | Journal Article | ||||
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Divisions: | Faculty of Science, Engineering and Medicine > Science > Physics | ||||
Journal or Publication Title: | Physical Review B (Condensed Matter and Materials Physics) | ||||
Publisher: | American Physical Society | ||||
ISSN: | 1098-0121 | ||||
Official Date: | 2013 | ||||
Dates: |
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Volume: | Volume 87 | ||||
Number: | Number 12 | ||||
Page Range: | Article number 125133 | ||||
DOI: | 10.1103/PhysRevB.87.125133 | ||||
Status: | Peer Reviewed | ||||
Publication Status: | Published | ||||
Access rights to Published version: | Restricted or Subscription Access |
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