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  Charge Ordering in the Spinels AlV2O4 and LiV2O4

Zhang, Y. Z., Fulde, P., Thalmeier, P., & Yaresko, A. (2005). Charge Ordering in the Spinels AlV2O4 and LiV2O4. Journal of the Physical Society of Japan, 74(8), 2153-2156. doi:10.1143/JPSJ.74.2153.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-0015-2CA5-E Version Permalink: http://hdl.handle.net/11858/00-001M-0000-0019-EAEA-6
Genre: Journal Article

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

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 Abstract: We develop a microscopic theory for the charge ordering (CO) transitions in the spinels AlV 2 O 4 and LiV 2 O 4 (under pressure). The high degeneracy of CO states is lifted by a coupling to the rhombohedral lattice deformations which favors a transition to a CO state with inequivalent V(1) and V(2) sites forming Kagomé and trigonal planes, respectively. We construct an extended Hubbard-type model including a deformation potential which is treated in an unrestricted Hartree–Fock approximation and describes correctly the observed first-order CO transition. We also discuss the influence of associated orbital order. Furthermore, we suggest that due to different band fillings AlV 2 O 4 should remain metallic while LiV 2 O 4 under pressure should become a semiconductor when charge disproportionation sets in.

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Language(s): eng - English
 Dates: 2005
 Publication Status: Published in print
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Method: -
 Identifiers: eDoc: 241714
DOI: 10.1143/JPSJ.74.2153
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Title: Journal of the Physical Society of Japan
Source Genre: Journal
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Publ. Info: Tokyo : The Society
Pages: - Volume / Issue: 74 (8) Sequence Number: - Start / End Page: 2153 - 2156 Identifier: ISSN: 0031-9015
CoNE: https://pure.mpg.de/cone/journals/resource/954925433407