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arXiv:1406.4471 · Physical Review B

Spectral function of the U→∞ one-dimensional Hubbard model at finite temperature and the crossover to the spin-incoherent regime

Mohammad Soltanieh-ha, Adrian E. Feiguin

Published Oct 31, 2014• 7 citations
arXivHTMLPDF

Abstract

The physics of the strongly interacting Hubbard chain (with $t/U\ensuremath{\ll}1$) at finite temperatures undergoes a crossover to a spin-incoherent regime when the temperature is very small relative to the Fermi energy, but larger than the characteristic spin energy scale. This crossover can be understood by means of Ogata and Shiba's factorized wave function, where charge and spin are totally decoupled, and assuming that the charge remains in the ground state, while the spin is thermally excited and at an effective ``spin temperature.'' We use the time-dependent density matrix renormalization group method to calculate the dynamical contributions of the spin, to reconstruct the single-particle spectral function of the electrons. The crossover is characterized by a redistribution of spectral weight both in frequency and momentum, with an apparent shift by ${k}_{F}$ of the minimum of the dispersion.

DOI
10.1103/physrevb.90.165145

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The physics of the strongly interacting Hubbard chain (with t/U\ensuremath≪1t/U\ensuremath{\ll}1t/U\ensuremath≪1) at finite temperatures undergoes a crossover to a spin-incoherent regime when the temperature is very small relative to the Fermi energy, but larger than the characteristic spin energy scale. This crossover can be understood by means of Ogata and Shiba's factorized wave function, where charge and spin are totally decoupled, and assuming that the charge remains in the ground state, while the spin is thermally excited and at an effective ``spin temperature.'' We use the time-dependent density matrix renormalization group method to calculate the dynamical contributions of the spin, to reconstruct the single-particle spectral function of the electrons. The crossover is characterized by a redistribution of spectral weight both in frequency and momentum, with an apparent shift by kF{k}_{F}kF​ of the minimum of the dispersion.
We study the dynamical response of the half-filled one-dimensional Hubbard model for a range of interaction strengths UUU and temperatures TTT by a combination of numerical and analytical techniques. Using time-dependent density matrix renormalization group computations we find that the single-particle spectral function undergoes a crossover to a spin-incoherent Luttinger liquid regime at temperatures $T\ensuremath{\sim}J=4{t}^{2}/U$ for sufficiently large U>4tU>4tU>4t. At smaller values of UUU and elevated temperatures the spectral function is found to exhibit two thermally broadened bands of excitations, reminiscent of what is found in the Hubbard-I approximation. The dynamical density-density response function is shown to exhibit a finite-temperature resonance at low frequencies inside the Mott gap, with a physical origin similar to the Villain mode in gapped quantum spin chains. We complement our numerical computations by developing an analytic strong-coupling approach to the low-temperature dynamics in the spin-incoherent regime.
We present time-dependent density-matrix renormalization-group (DMRG) results for strongly interacting one-dimensional fermionic systems at finite temperature. When interactions are strong the characteristic spin energy can be greatly suppressed relative to the characteristic charge energy, allowing for the possibility of spin-incoherent Luttinger liquid physics when the temperature is high compared to the spin energy, but small compared to the charge energy. Using DMRG we compute the spectral properties of the $t\text{\ensuremath{-}}J$ model at arbitrary temperatures with respect to both spin and charge energies. We study the full crossover from the Luttinger liquid regime to the spin-incoherent regime, focusing on small J/tJ/tJ/t, where the signatures of spin-incoherent behavior are more manifest. Our method allows us to access the analytically intractable regime where temperature is on the order of the spin energy, $T\ensuremath{\sim}J$. Our results should be helpful in the interpretation of experiments that may be in the crossover regime, $T\ensuremath{\sim}J$, and apply to one-dimensional cold atomic gases where finite-temperature effects are appreciable. The technique may also be used to guide the development of analytical approximations for the crossover regime.
We calculate the spectral function of the one-dimensional Hubbard-Holstein model using the time-dependent density matrix renormalization group, focusing on the regime of large local Coulomb repulsion, and away from electronic half-filling. We argue that, from weak to intermediate electron-phonon coupling, phonons interact only with the electronic charge, and not with the spin degrees of freedom. For strong electron-phonon interaction, spinon and holon bands are not discernible anymore and the system is well described by a spinless polaronic liquid. In this regime, we observe multiple peaks in the spectrum with an energy separation corresponding to the energy of the lattice vibrations (i.e., phonons). We support the numerical results by introducing a well controlled analytical approach based on Ogata-Shiba's factorized wave function, showing that the spectrum can be understood as a convolution of three contributions, originating from charge, spin, and lattice sectors. We recognize and interpret these signatures in the spectral properties and discuss the experimental implications.
Interacting one-dimensional electron systems are generally referred to as "Luttinger liquids", after the effective low-energy theory in which spin and charge behave as separate degrees of freedom with independent energy scales. The "spin-incoherent Luttinger liquid" describes a finite-temperature regime that is realized when the temperature is very small relative to the Fermi energy, but larger than the characteristic spin energy scale, and it is realized for instance in the strongly interacting Hubbard chain (with U → ∞). Similar physics can take place in the ground-state, when a Luttinger Liquid is coupled to a spin bath, which effectively introduces a "spin temperature" through its entanglement with the spin degree of freedom. We show that the spin-incoherent state can be exactly written as a factorized wave-function, with a spin wave-function that can be described within a valence bond formalism. This enables us to calculate exact expressions for the momentum distribution function and the entanglement entropy. This picture holds not only for two antiferromagnetically coupled t-J chains, but also for the t-J-Kondo chain with strongly interacting conduction electrons. In chapter 3 we argue that this theory is quite universal and may describe a family of problems that could be dubbed "spin-incoherent".
Correlation-driven metal-insulator transitions and temperature-driven quantum-coherent-to-incoherent crossovers in correlated electron systems underpin the doping, temperature and frequency-resolved evolution of physical responses. Motivated by recent experimental studies that investigate the evolution of dynamical spin and charge responses, we analyze the spin and charge diffusion spectra in both half-filled and doped one-band Hubbard model using Dynamical Mean Field Theory (DMFT) combined with the Numerical Renormalization Group (NRG). We compare the relative strengths and limitations of Density Matrix NRG (DMNRG) and Full Density Matrix NRG (FDM-NRG) in capturing low-frequency spectral features and their evolution with temperature, interaction strength and band-filling. Key measures, including characteristic frequency scales, Kullback-Leibler divergence, diffusion constants, and kurtosis provide complementary but internally consistent picture for the evolution of spin and charge excitations across bandwidth as well as the band-filling driven Mott transitions and the coherent-incoherent crossover. We find that spin and charge fluctuations cross over from quantum-coherent-to-quantum-incoherent at distinct temperatures, providing a microscopic insight into the complex, two-stage, Fermi-to-non-Fermi liquid-to-bad metal crossovers seen in transport data, in particular in the dcdcdc resistivity.
The Hubbard model is a simple but profound theoretical tool for understanding the physics underlying strongly correlated systems. This phenomenology includes, but is not limited to, metal-insulating transitions, charge and spin order (charge density/spin density waves), superconducting phases, non-Fermi liquid physics, among others. Examining one dimensional physical models described by the Hubbard Hamiltonian can teach us much about the related physics of higher dimensional systems. Applying advanced numerical computational techniques such as density matrix numerical renormalization group (DMRG) to one-dimensional manypbody model Hamiltonians allows for the calculation of ground state energies and dynamical spectral functions with extremely high precision and accuracy. This thesis explores the application of DMRG numerical techniques to one-dimensional physical systems described by Hamiltonians beyond the conventional Hubbard model, and the nuanced physical effects observed for these systems across various regimes and phases. A Wannier Hubbard chain composed of non-orthogonal overlapping atomic orbitals was transformed to an orthogonal atomic basis using a non-unitary Lowdin transformation. The calculation of energies, dynamical spectral functions and the photoemission spectrum for this Wannier Hubbard chain revealed phases not previously observed for Hubbard chains at half-filling. Additional analysis and calculations were performed for a CuO chain described by the Luther-Emery Hamiltonian that epitomizes charge-transfer physics. The motivation for studying this CuO chain was previous literature on transition metal oxides (TMOs) and the mapping of multiband Hamiltonians to single band models in certain energy regimes. Finally, we performed computational analysis for a spin-3/2 generalized Hubbard chain. By spanning the full phase space of our spin-3/2 Hubbard chain in terms of chemical potential μ\muμ and external magnetic field hhh we observed non-typical Cooper pairing states and novel phases for different symmetries of our Hamiltonian.--Author's abstract