Near degeneracy and pseudo Jahn-Teller effects in mixed-valence ladders: The phase transition inNaV2O5

2005/01/31 by Liviu Hozoi, L. Hozoi, Satoshi Nishimoto +2
Materials Science · Physics and Astronomy · #Advanced Condensed Matter Physics #Bioinformatics #Biology #Condensed matter physics #Degeneracy (biology) #Ion #Jahn–Teller effect #Mathematical physics #Organic and Molecular Conductors Research #Phase transition #Physics #Physics of Superconductivity and Magnetism #Quantum mechanics #Statistical physics #Valence (chemistry) #cond-mat.str-el

paper · pdf · doi:10.1103/physrevb.72.195117

5 pages, 2 figures, 1 table, submitted to PRL

arxiv created 2005/02/10 · openalex publication_date 2005/11/28 · arxiv updated 2009/12/01 · openalex created_date 2016/06/24 · openalex updated_date 2026/08/05

Abstract

We analyze the electronic structure of a mixed-valence ladder system. We find that structural anisotropy and complex electron correlations lead to on-rung charge localization and insulating character. Charge fluctuations within the rung of the ladder interact strongly to the lattice degrees of freedom, which gives rise to large pseudo Jahn-Teller effects. The phase transition in NaV₂O₅ should be driven by this kind of mechanism.

Citations

• Modern Aspects of the Jahn−Teller Effect Theory and Applications To Molecular Problems
• Muffin-tin orbitals of arbitrary order
• Co-operative Jahn-Teller effects
• High-frequency dielectric and magnetic anomaly at the phase transition inNaV2O5
• Charge ordering and opening of spin gap in NaV2O5
• The density-matrix renormalization group