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Phase diagram of a three-orbital model for high-Tc cuprate superconductors
Cédric Weber1, T Giamarchi2, C M Varma3
1King's College London, Theory and Simulation of Condensed Matter (TSCM), The Strand, London WC2R 2LS, United Kingdom and Thomas Young Centre, University College London, 17 Gordon Street, London WC1H 0AH, United Kingdom.
Abstract:
We study the phase diagram of an effective three-orbital model of the cuprates using variational Monte Carlo calculations on asymptotically large lattices and exact diagonalization on a 24-site cluster. States with ordered orbital current loops (LC), itinerant antiferromagnetism, d-wave superconductivity, and the Fermi liquid are investigated using appropriate Slater determinants refined by Jastrow functions for on-site and intersite correlations. We find an LC state stable in the thermodynamic limit for a range of parameters compatible with the Fermi surface of a typical hole doped superconductor provided the transfer integrals between the oxygen atoms have signs determined by the effects of indirect transfer through the Cu-4s orbitals as suggested by Andersen. The results of the calculations are that the LC phase gives way at lower dopings to an antiferromagnetism phase, and at larger dopings to superconductivity and Fermi liquid phases.
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To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...

