Local intra-unit-cell order parameters in cuprates

preprint2014arXivOpen access

Abstract

Starting with the on-site Hilbert space reduced to only three effective valence centers, nominally Cu1+,2+,3+^{1+,2+,3+}, we present an unified approach to the description of the local intra-unit-cell (IUC) order parameters in cuprates. Central point of the model implies the occurrence of unconventional on-site quantum superpositions of the three valent states characterized by different hole occupation, nhn_h=0,1,2, conventional spin s=1/2 for Cu2+^{2+} and s=0 for Cu1+,3+^{1+,3+} centers, and different orbital symmetry:B1gB_{1g} for the ground states of the Cu2+^{2+} center and A1gA_{1g} for the Cu1+,3+^{1+,3+} centers, respectively. The latter does result in a spontaneous orbital symmetry breaking with emergence of the IUC orbital nematic order parameter of the B1g∝dx2−y2B_{1g}\propto d_{x2-y2} symmetry. To describe the quantum local charge order we develop an S=1 pseudospin model. Conventional spin density ρsρ_s for mixed valence superpositions can vary inbetween 0 and 1 in accordance with the weight of the Cu2+^{2+} center in the superposition. We show that the superconductivity and spin magnetism are nonsymbiotic phenomena with competing order parameters. Furthermore we argue that instead of a well-isolated Zhang-Rice (ZR) singlet 1A1g^1A_{1g} the ground state of the hole Cu3+^{3+} center in cuprates should be described by a complex 1A1g^1A_{1g}-1,3B2g^{1,3}B_{2g}-1,3Eu^{1,3}E_u multiplet, formed by a competition of conventional hybrid Cu 3d-O 2p b1g(σ)∝dx2−y2b_{1g}(σ)\propto d_{x^2 -y^2} state and {\it purely oxygen nonbonding} O 2pππ states with a2g(π)a_{2g}(π) and eux,y(π)e_{ux,y}(π) symmetry. In contrast with inactive ZR singlet we arrive at several novel competing IUC orbital and spin-orbital order parameters, e.g., electric dipole and quadrupole moments, Ising-like net orbital magnetic moment, orbital toroidal moment, intra-plaquette's staggered order of Ising-like oxygen orbital magnetic moments.

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