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  NaV2O5 as a Quarter-Filled Ladder Compound

Smolinski, H., Gros, C., Weber, W., Peuchert, U., Roth, G., Weiden, M., et al. (1998). NaV2O5 as a Quarter-Filled Ladder Compound. Physical Review Letters, 80, 5164-5167. doi:10.1103/PhysRevLett.80.5164.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-0015-3501-F Version Permalink: http://hdl.handle.net/11858/00-001M-0000-0018-F67D-1
Genre: Journal Article

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 Creators:
Smolinski, H., Author
Gros, C., Author
Weber, W., Author
Peuchert, U., Author
Roth, G., Author
Weiden, M.1, Author              
Geibel, C.2, Author              
Affiliations:
1Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863404              
2Christoph Geibel, Physics of Quantum Materials, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863465              

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 Abstract: A new x-ray diffraction study of the one-dimensional spin-Peierls compound α′-NaV2O5 reveals a centrosymmetric (Pmmn) crystal structure with one type of V site, contrary to the previously postulated noncentrosymmetric P21mn structure with two types of V sites ( V+4 and V+5). Density-functional calculations indicate that NaV2O5 is a quarter-filled ladder compound with the spins carried by V-O-V molecular orbitals on the rungs of the ladder. Estimates of the charge-transfer gap and the exchange coupling agree well with experiment and explain the insulating behavior of NaV2O5 and its magnetic properties.

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Language(s): eng - English
 Dates: 1998-06-08
 Publication Status: Published in print
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Method: -
 Identifiers: eDoc: 236896
Other: 7436
DOI: 10.1103/PhysRevLett.80.5164
 Degree: -

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Title: Physical Review Letters
  Other : Phys. Rev. Lett.
Source Genre: Journal
 Creator(s):
Affiliations:
Publ. Info: Woodbury, N.Y. : American Physical Society
Pages: - Volume / Issue: 80 Sequence Number: - Start / End Page: 5164 - 5167 Identifier: ISSN: 0031-9007
CoNE: /journals/resource/954925433406_1