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Exact Thermodynamics of Pairing and Charge-spin Separation Crossovers in Small Hubbard Nanoclusters

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 Added by Armen Kocharian
 Publication date 2007
  fields Physics
and research's language is English




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The exact numerical diagonalization and thermodynamics in an ensemble of small Hubbard clusters in the ground state and finite temperatures reveal intriguing insights into the nascent charge and spin pairings, Bose condensation and ferromagnetism in nanoclusters. The phase diagram off half filling strongly suggests the existence of subsequent transitions from electron pairing into unsaturated and saturated ferromagnetic Mott-Hubbard like insulators, driven by electron repulsion. Rigorous criteria for the existence of quantum critical points in the ground state and corresponding crossovers at finite temperatures are formulated. The phase diagram for 2x4-site clusters illustrates how these features are scaled with cluster size. The phase separation and electron pairing, monitored by a magnetic field and electron doping, surprisingly resemble phase diagrams in the family of doped high Tc cuprates.



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Electron pairing and ferromagnetism in various cluster geometries are studied with emphasis on tetrahedron and square pyramid 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. Criteria for spin-charge separation and reconciliation driven by interaction strength, next nearest coupling and temperature are found. Phase diagrams resemble a number of inhomogeneous, coherent and incoherent nanoscale phases seen recently in high T$_c$ cuprates, manganites and CMR nanomaterials.
We consider the repulsive Hubbard model in one dimension and show the different mechanisms present in the charge and spin separation phenomena for an electron, at half filling and bellow half filling. We also comment recent experimental results.
Spontaneous phase separation instabilities with the formation of various types of charge and spin pairing (pseudo)gaps in $U>0$ Hubbard model including the {it next nearest neighbor coupling} are calculated with the emphasis on the two-dimensional (square) lattices generated by 8- and 10-site Betts unit cells. The exact theory yields insights into the nature of quantum critical points, continuous transitions, dramatic phase separation instabilities and electron condensation in spatially inhomogeneous systems. The picture of coupled anti-parallel (singlet) spins and paired charged holes suggests full Bose condensation and coherent pairing in real space at zero temperature of electrons complied with the Bose-Einstein statistics. Separate pairing of charge and spin degrees at distinct condensation temperatures offers a new route to superconductivity different from the BCS scenario. The conditions for spin liquid behavior coexisting with unsaturated and saturated Nagaoka ferromagnetism due to spin-charge separation are established. The phase separation critical points and classical criticality found at zero and finite temperatures resemble a number of inhomogeneous, coherent and incoherent nanoscale phases seen near optimally doped high-$T_c$ cuprates, pnictides and CMR nanomaterials.
An exact study of charge-spin separation, pairing fluctuations and pseudogaps is carried out by combining the analytical eigenvalues of the four-site Hubbard clusters with the grand canonical and canonical ensemble approaches in a multidimensional parameter space of temperature (T), magnetic field (h), on-site interaction (U) and chemical potential. Our results, near the average number of electrons <N>=3, strongly suggest the existence of a critical parameter U_{c}(T) for the localization of electrons and a particle-hole binding (positive) gap at U>U_{c}(T), with a zero temperature quantum critical point, U_{c}(0)=4.584. For U<U_{c}(T), particle-particle pair binding is found with a (positive) pairing gap. The ground state degeneracy is lifted at U>U_c(T) and the cluster becomes a Mott-Hubbard like insulator due to the presence of energy gaps at all (allowed) integer numbers of electrons. In contrast, for U< U_c(T), we find an electron pair binding instability at finite temperature near <N>=3, which manifests a possible pairing mechanism, a precursor to superconductivity in small clusters. In addition, the resulting phase diagram consisting of charge and spin pseudogaps, antiferromagnetic correlations, hole pairing with competing hole-rich (<N>=2), hole-poor (<N>=4) and magnetic (<N>=3) regions in the ensemble of clusters near 1/8 filling closely resembles the phase diagrams and inhomogeneous phase separation recently found in the family of doped high T_c cuprates.
We address some open questions regarding the phase diagram of the one-dimensional Hubbard model with asymmetric hopping coefficients and balanced species. In the attractive regime we present a numerical study of the passage from on-site pairing dominant correlations at small asymmetries to charge-density waves in the region with markedly different hopping coefficients. In the repulsive regime we exploit two analytical treatments in the strong- and weak-coupling regimes in order to locate the onset of phase separation at small and large asymmetries respectively.
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