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Session C1: APS, AAPT, and SPS Poster Session - Comparative exact studies of phase separation instabilities in attractive and repulsive Hubbard models

Kalum Palandage, ARMEN N. KOCHARIAN, Gayanath Fernando

Published Nov 18, 2011• 0 citations
Publisher

Abstract

With the growing interest of unconventional superconductors, it is believed that these materials have spatial inhomogeneities accompanied with the separate pairing of electrons and subsequent condensation. In doped high-Tc cuprate superconductors, iron pnictide and telluride nanomaterials, above properties can be traced from both repulsive and attractive interactions of electrons. The principle differences and similarities of electron coherent and incoherent pairing instabilities are analyzed using ensembles of small clusters under variation of chemical potential (or doping), interaction strength, temperature and magnetic field. The exact calculations of quantum critical points, the charge and spin collective excitations, and corresponding critical transition temperatures display a common mechanism of phase separation transitions, condensation and formation of spatial inhomogeneities in various cluster geometries. The dependence of the gap function on position of the apical oxygen atom near its sign change due to its vibration provides a simple microscopic explanation of supermodulation of the coherent pairing gap in Bi$_{2}$Sr$_{2}$CaCu$_{2}$O$_{8+\delta }$ seen recently at atomic scale in the scanning tunneling microscopy experiments. Some features of band structures obtained using the local spin density approximation for FeTe will be also discussed.

DOI
10.7275/7661

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Phase separation instabilities and pairing modulations in Bi2Sr2CaCu2O8+δBi_2Sr_2CaCu_2O_{8+δ}Bi2​Sr2​CaCu2​O8+δ​
There is growing evidence that the unconventional spatial inhomogeneities in the doped high-Tc superconductors are accompanied by the pairing of electrons, subsequent quantum phase transitions (QPTs), and condensation in coherent states. We show that these superconducting states can be obtained from phase separation instabilities near the quantum critical points. We examine electron coherent and incoherent pairing instabilities using our results on exact diagonalization in pyramidal and octahedron Hubbard-like clusters under variation of chemical potential (or doping), interaction strength, temperature and magnetic field. We also evaluate the behavior of the energy gap in the vicinity of its sign change as a function of out-of-plane position of the apical oxygen atom, due to vibration of apical atom and variation of inter-site coupling. These results provide a simple microscopic explanation of (correlation induced) supermodulation of the coherent pairing gap observed recently in the scanning tunneling microscopy experiments at atomic scale in Bi2Sr2CaCu2O8+δBi_2Sr_2CaCu_2O_{8+δ}Bi2​Sr2​CaCu2​O8+δ​. The existence of possible modulation of local charge density distribution in these materials is also discussed.
Electron pairing and formation of various types of magnetic correlations for ensembles of small clusters of different geometries are studied with emphasis on tetrahedrons and square pyramids under variation of interaction strength, electron doping and temperature. These exact calculations of charge and spin collective excitations and pseudogaps yield intriguing insights into level crossing degeneracies, phase separation and condensation. Obtained coherent and incoherent pairings provide a route for possible superconductivity different from the conventional BCS theory. Criteria for spin-charge separation, reconciliation and recombination driven by interaction strength, next-nearest coupling and temperature are found. Resulting phase diagrams resemble a number of inhomogeneous, coherent and incoherent nanoscale phases seen recently in high-Tc{T}_{c}Tc​ cuprates, manganites and colossal magnetoresistive (CMR) nanomaterials.
Exact thermal studies of small (4-site and 8-site) Hubbard clusters with local electron repulsion yield intriguing insight into phase separation, charge-spin separation, pseudogaps, condensation, and, in particular, pairing fluctuations away from half-filling. These exact calculations, carried out in canonical and grand canonical ensembles, monitoring variations in temperature TTT and magnetic field hhh, show rich phase diagrams in a $T\ensuremath{-}\ensuremath{\mu}$ space consisting of pairing fluctuations and signatures of condensation. Corresponding electron pairing instabilities are seen when the on-site Coulomb interaction UUU is smaller than a critical value Uc(T){U}_{c}(T)Uc​(T) and they point to a possible electron pairing mechanism. The specific heat, magnetization, charge pairing, and spin pairing provide strong support for the existence of competing (paired and unpaired) phases near optimal doping in these clusters, and numerous similarities with experiments on high Tc{T}_{c}Tc​ superconductors are pointed out. In addition, these ideas may be linked to superconducting carbon nanotubes where a purely electronic mechanism could be responsible for superconductivity.
Electron coherent and incoherent pairings and other types of correlations are studied exactly for the ensemble of small clusters with different geometries under variation of interaction strength, electron doping and temperature. Charge and spin collective excitations yield intriguing insights into level crossing degeneracies, phase separation and condensation. Criteria for spin-charge separation and recombination driven by interaction strength and temperature are found. Phase diagrams resemble a number of inhomogeneous, nanoscale phases and pseudogap regions seen recently in high TC cuprates, manganites, multiferroics and CMR nanomaterials.
Pairing instabilities found from exact studies of repulsive Hubbard clusters with different topologies provide important insights into several many-body problems in condensed-matter physics. Electron charge and spin pairing instabilities in a multiparameter phase space, defined by temperature, magnetic field, and chemical potential, lead to properties that are remarkably similar to correlated inhomogeneous bulk (perovskite) systems such as the high-temperature superconductors and colossal-magnetoresistance materials. In particular, for small to moderate values of the on-site Coulomb repulsion UUU, the role of square-planar geometry is borne out for weak vertex coupling in an octahedron. These conditions are favorable to forming a Bose condensate in the region of instability near one hole off half filling while strong vertex coupling has a detrimental effect on such condensation. In addition, it is shown that magnetic flux can get trapped in stable minima at half-integral units of the flux quantum in hole-rich regions. For higher values of UUU, Nagaoka-type ferromagnetism is examined.
In order to understand various local phenomena related to electronic phase separation discovered recently in strongly correlated materials, quantum cluster methods are applied to a theoretical model, i.e., Hubbard model, which has successfully predicted basic properties of strongly correlated systems. Our calculations are performed at two levels: exact calculations based on the isolated small clusters via exact diagonalization and approximate calculations applied to large lattices using the variational cluster approximation (VCA).\nWe first study phase separation instabilities with the formation of a pairing gap in the two-dimensional Hubbard model for 8-site Betts clusters. The exact diagonalization method is applied to extract exact ground and excited states of the Hubbard model. The results show that the electronic states with one hole off half filling are unstable and they energetically prefer creating the spatial phase separation. The effect of next nearest hopping is also discussed in this part.\nWe studied the variation of the pairing when the out-of-plane correlation is present by adding an interacting apical site above the two-dimensional cluster plane. The calculations indicate that the out-of-plane correlation can be detrimental to the in-plane pairing effect. When it is not too strong to destroy electron pairs on the plane, the modulation of the apical site can drive the pairing gap to show a sinusoidal variation which is consistent with recent experimental discoveries.\nVariational cluster approximation is introduced to explore local properties of larger lattices. The local nematic state is studied in the square lattice using this method, which indicates that it is possible that the electronic states can locally break the C4 symmetry (90o$ rotational symmetry) to form a pattern where the electronic properties, such as charge and spin correlations, are different in x and y directions.\nThe spatial phase separation in the square and honeycomb lattices is also investigated by the variational cluster approximation. The study shows that Coulomb interaction and lattice geometry are both crucial for electronic phase separation. We propose that electronic phase separation is the result of an instability of the Fermi surface at the boundary of the first Brillouin zone of antiferromagnetic states.