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arXiv · 1009.3490

Role of oxygen-oxygen hopping in the three-band copper-oxide model: quasiparticle weight, metal insulator and magnetic phase boundaries, gap values and optical conductivity

Xin Wang·Luca de' Medici·Andrew J. Millis
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Abstract

We investigate the effect of oxygen-oxygen hopping on the three-band copper-oxide model relevant to high-$T_c$ cuprates, finding that the physics is changed only slightly as the oxygen-oxygen hopping is varied. The location of the metal-insulator phase boundary in the plane of interaction strength and charge transfer energy shifts by $\sim 0.5$eV or less along the charge transfer axis, the quasiparticle weight has approximately the same magnitude and doping dependence and the qualitative characteristics of the electron-doped and hole-doped sides of the phase diagram do not change. The results confirm the identification of La$_2$CuO$_4$ as a material with intermediate correlation strength. However, the magnetic phase boundary as well as higher-energy features of the optical spectrum are found to depend on the magnitude of the oxygen-oxygen hopping. We compare our results to previously published one-band and three-band model calculations.

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Xin Wang, Luca de' Medici, Andrew J. Millis. 2011-02-17. Role of oxygen-oxygen hopping in the three-band copper-oxide model: quasiparticle weight, metal insulator and magnetic phase boundaries, gap values and optical conductivity. https://doi.org/10.1103/physrevb.83.094501

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