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  Microscopic model for the structural transition and spin gap formation in alpha(')-NaV2O5

Bernert, A., Thalmeier, P., & Fulde, P. (2002). Microscopic model for the structural transition and spin gap formation in alpha(')-NaV2O5. Physical Review B, 66(16): 165108, pp. 165108-165108. doi:10.1103/PhysRevB.66.165108.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-0015-30F1-1 Version Permalink: http://hdl.handle.net/11858/00-001M-0000-0017-D4C3-6
Genre: Journal Article

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 Creators:
Bernert, A., Author
Thalmeier, P.1, Author              
Fulde, P.2, Author              
Affiliations:
1Peter Thalmeier, Physics of Correlated Matter, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863457              
2Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863404              

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 Abstract: We present a microscopic model for alpha'-NaV2O5. Using an extended Hubbard model for the vanadium layers we derive an effective low-energy model consisting of pseudospin Ising chains and Heisenberg chains coupled to each other. We find a "spin-Peierls-Ising" phase transition which causes charge ordering on every second ladder and superexchange alternation on the other ladders. This transition can be identified with the first transition of the two close-by transitions observed in experiment. Due to charge ordering the effective coupling between the lattice and the superexchange is enhanced. This is demonstrated within a Slater-Koster approximation. It leads to a second instability with superexchange alternation on the charge-ordered ladders due to an alternating shift of the O sites on the rungs of that ladder. We can explain within our model the observed spin gap, the anomalous BCS ratio, and the anomalous shift of the critical temperature of the first transition in a magnetic field. To test the calculated superstructure we determine the low-energy magnon dispersion and find agreement with experiment.

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Language(s): eng - English
 Dates: 2002-10-15
 Publication Status: Published in print
 Pages: -
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 Table of Contents: -
 Rev. Method: Peer
 Identifiers: eDoc: 16364
ISI: 000179286400044
DOI: 10.1103/PhysRevB.66.165108
 Degree: -

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Title: Physical Review B
  Alternative Title : Phys. Rev. B
Source Genre: Journal
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Pages: - Volume / Issue: 66 (16) Sequence Number: 165108 Start / End Page: 165108 - 165108 Identifier: ISSN: 0163-1829