Nature of insulating state in NaV2O5 above charge-ordering transition: A cluster dynamical mean-field study

Article

关键词: STRONGLY CORRELATED SYSTEMS;    D-WAVE SUPERCONDUCTIVITY;    SPIN-PEIERLS COMPOUND;    ELECTRONIC-STRUCTURE;    1ST-PRINCIPLES CALCULATIONS;    TEMPERATURE;    FREEDOM;    SPECTRA;    GAP;   

DOI  :  10.1103/PhysRevB.66.081104

来源: SCIE

【 摘 要 】

The nature of the insulating state driven by electronic correlations in the quarter-filled ladder compound alpha(')NaV(2)O(5) is investigated within a cluster dynamical mean-field approach. An extended Hubbard model with first-principles tight-binding parameters has been used. It is shown that the insulating state in the charge-disordered phase of this compound is formed due to the transfer of spectral density and dynamical charge fluctuations where for the latter, the role of intersite Coulomb interaction is found to be of crucial importance.

【 授权许可】

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