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

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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
Divisions:	Faculty of 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:	Date Event 2013 Published
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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