Charge order induced by electron-lattice interaction inNaV2O5

作者: B. Edegger , H. G. Evertz , R. M. Noack

DOI: 10.1103/PHYSREVB.72.085131

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摘要: We present Density Matrix Renormalization Group calculations of the ground-state properties quarter-filled ladders including static electron-lattice coupling. Isolated and two coupled are considered, with model parameters obtained from band-structure for $\alpha^\prime$-NaV$_2$O$_5$. The relevant Holstein coupling to lattice causes out-of-plane distortions, which appear concurrently a charge-ordered state exhibit same zigzag pattern observed in experiments. inclusion drastically reduces critical nearest-neighbor Coulomb repulsion $V_c$ needed obtain state. No spin gap is ordered phase. charge ordering driven by interaction. With interaction, has virtually no effect on or characteristics At $V=0.46\eV$, value consistent previous estimates, distortion, gap, order parameter, effective good agreement experimental data NaV$_2$O_5$.

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