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arXiv:1206.5165 · Physical Review B

Spin-independent V-representability of Wigner crystal oscillations in one-dimensional Hubbard chains: The role of spin-charge separation

Daniel Vieira

Published Aug 20, 2012• 16 citations
arXivHTMLPDF

Abstract

Electrons in one dimension display the unusual property of separating their spin and charge into two independent entities: The first, which derives from uncharged spin-$1/2$ electrons, can travel at different velocities when compared with the second, which is built from charged spinless electrons. Predicted theoretically in the early 1960s, spin-charge separation has attracted renewed attention since the first evidences of experimental observation, with usual mentions as a possible explanation for high-temperature superconductivity. In one-dimensional (1D) model systems, spin-charge separation causes the frequencies of Friedel oscillations to suffer a $2{k}_{F}\ensuremath{\rightarrow}4{k}_{F}$ crossover, mainly when dealing with strong correlations, where they are referred to as Wigner crystal oscillations. In nonmagnetized systems, the current density functionals that are applied to the 1D Hubbard model are not seen to reproduce this crossover, which leads to a more fundamental question: Are the Wigner crystal oscillations in 1D systems noninteracting V-representable? Or, is there a spin-independent Kohn-Sham potential that is able to yield spin-charge separation? Finding an appropriate answer to both questions is our main task here. By means of exact and density matrix renormalization group solutions, as well as an exchange-correlation potential introduced here, we show the answer to be positive. Specifically, the V-representable $4{k}_{F}$ oscillations emerge from attractive interactions mediated by positively charged spinless holes---the holons---as an additional contribution to the repulsive on-site Hubbard interaction.

DOI
10.1103/physrevb.86.075132

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Abstract. The physics of interacting quantum wires has attracted a lot of attention recently. When the density of electrons in the wire is very low, the strong repulsion between electrons leads to the formation of a Wigner crystal. We review the rich spin and orbital properties of the Wigner crystal, both in the one-dimensional and quasi-one-dimensional regime. In the one-dimensional Wigner crystal the electron spins form an antiferromagnetic Heisenberg chain with exponentially small exchange coupling. In the presence of leads the resulting inhomogeneity of the electron density causes a violation of spin-charge separation. As a consequence the spin degrees of freedom affect the conductance of the wire. Upon increasing the electron density, the Wigner crystal starts deviating from the strictly one-dimensional geometry, forming a zigzag structure instead. Spin interactions in this regime are dominated by ring exchanges, and the phase diagram of the resulting zigzag spin chain has a number of unpolarized phases as well as regions of complete and partial spin polarization. Finally we address the orbital properties in the vicinity of the transition from a onedimensional to a quasi-one-dimensional state. Due to the locking between chains in the zigzag Wigner crystal, only one gapless mode exists. Manifestations of Wigner crystal physics at weak interactions are explored by studying the fate of the additional gapped low-energy mode as a function of interaction strength. PACS numbers: 71.10.Pm2 1.

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Correlation effects in low dimensional quantum systems

Chun Yang

This dissertation discussed four low-dimensional systems: Hubbard ladder and its 2D extension, anisotropic Hubbard ladder, one-dimensional two-orbital t-J model, and Kondo model. All of them are of strongly correlated. Doped cuprates, as strongly correlated systems, have attracted a lot of attention in the condensed matter physics community, not just from the purely theoretical perspective, but also due to the novel applications beyond the conventional semiconductor paradigm. They display complicated phase diagram, defying the conventional rigid band theory, shaking our common sense and driving us to wrestle with many-body physics. With the aid of advanced experimental techniques such as ARPES, its various exotic electronic structure, such as waterfalls, hole pockets, Fermi arcs and kinks have been unveiled and remain open to interpretation. To attack such complicated problems, people usually build various models to mimic the CuO2 planes, which is the common feature of various cuprate compounds and is believed to be mainly responsible for their complicated properties, especially the high temperature superconductivity. In Chapter 3, we simulated the spectral properties of the 2- leg single-band Hubbard ladder and its 2-dimensional extension at and away from half-lling using the numerical tool: the combination of Cluster Perturbation Theory (CPT) with the time-dependent density matrix renormalization group method (tDMRG) as a solver. The main features of the spectrum can be described with a mean-eld dispersion, with kinks and pseudogap traced back to scattering between spin and charge degrees of freedom. As a bonus, we nd that the spectrum of hubbard ladder involves spin-polaron, the bound state of spinon and holon. Interacting one-dimensional electron systems generically behave dierent from higher dimensional systems in the sense that its low-energy excitations are described by Luttinger liquid theory as collective bosonic modes carrying spin and charge separately, the so-called spinons and holons, rather than the coherent quasi-particles in Fermi liquid theory. This phenomenon is known as spin-charge separation, an intrinsic property of 1D system. It can be thought of as a particular case of electron fractionalization. When multiple 1D chains get coupled, how the picture changes? In Chapter 4, we study the spectral function of the anisotropic 2-leg Hubbard ladder, one of the simplest multiple-chain systems. The spectrum can be understood as the scattering resultants of spinon and holons: As the inter-chain hopping is increased, the continuum in the bonding channel moves to higher energies and spinon and holon branches merge into a single coherent quasi-particle band. Simultaneously, the spectrum undergoes a crossover from a regime with two minima at incommensurate values of kx (a Mott insulator), to one with a single minimum at kx = (a band insulator). In addition, the spectrum contains a continuum of scattering states consisting of a triplon and a polaron, accompanied by the formation of bound states with higher spin 3 2 , ferromagnetic \spin bags" in which the hole can move freely. To analyze the formation of quasi-particle, we study the time-evolution of charge and spin degrees of freedom in real space after a hole is injected, which indicates that incoherent holons and spinons can emerge into polarons, that can propagate coherently, after a characterstic time . Multiorbital systems can involve Mott and Hund physics, and are rich in various phenomena, including orbital selective Mott transitions, spin-orbital separations, and pairing density wave due to the complex interplay between spin, charge and orbital degrees of freedom. Therefore, it can capture many unique features in real strongly correlated systems, such as iron pnictides and ruthenates, and thus attract a lot of investigations. In Chapter 5, we comprehensively study a one-dimensional two-orbital model at and below quarter lling, which realizes a number of unconventional phases, by means of DMRG and some analytical calculations. In particular, we nd that the system supports an extensive density wave in which excitons quasicondense with nite center-of-mass momentum. In this phase, excitons behave as hardcore bosons without charge order. In addition, excitons can pair to form biexcitons in a state that is close to a charge density wave instability. Finally, a genuine orbital-selective paired state (metallic plus spin-gapped superconductor) can be realized when pairing dominates over the interorbital repulsion. Kondo problem, as one of the most studied and best understood correlated systems, has been studied by various techniques, but the internal structure of its ground state has two deeply con icting pictures: At strong coupling limit, the system is essentially composed of a scattering center, which is a tightly bound singlet formed by the impurity and a localized electron at r0, and the remaining conduction electrons that are decoupled to the impurity and remain almost \free". At weak enough couplings, the singlet extends to the entire volume and the impurity will couple mostly to one electron at the Fermi level. In chapter 6, we provide a coherent picture to unveil the puzzle in the context of quantum information theory by deconstructing the Kondo singlet, both in real and energy space, and measuring the spin correlations between the impurity and the invididual free electron eigenstate based on two dierent measures. As a bonus, we can identify \projected natural orbitals" that can be used as a \good" approximate wavefunctions for simulations, and a quasi-order parameter that determines the crossover from weak to strong coupling regimes and furthermore oers the means to measure the Kondo screening length K. This screening length might be used to characterize the \size" of the Kondo cloud.

•Jan 1, 2018•0 citations
Electrons in one dimension display the unusual property of separating their spin and charge into two independent entities: The first, which derives from uncharged spin-1/21/21/2 electrons, can travel at different velocities when compared with the second, which is built from charged spinless electrons. Predicted theoretically in the early 1960s, spin-charge separation has attracted renewed attention since the first evidences of experimental observation, with usual mentions as a possible explanation for high-temperature superconductivity. In one-dimensional (1D) model systems, spin-charge separation causes the frequencies of Friedel oscillations to suffer a 2kF\ensuremath→4kF2{k}_{F}\ensuremath{\rightarrow}4{k}_{F}2kF​\ensuremath→4kF​ crossover, mainly when dealing with strong correlations, where they are referred to as Wigner crystal oscillations. In nonmagnetized systems, the current density functionals that are applied to the 1D Hubbard model are not seen to reproduce this crossover, which leads to a more fundamental question: Are the Wigner crystal oscillations in 1D systems noninteracting V-representable? Or, is there a spin-independent Kohn-Sham potential that is able to yield spin-charge separation? Finding an appropriate answer to both questions is our main task here. By means of exact and density matrix renormalization group solutions, as well as an exchange-correlation potential introduced here, we show the answer to be positive. Specifically, the V-representable 4kF4{k}_{F}4kF​ oscillations emerge from attractive interactions mediated by positively charged spinless holes---the holons---as an additional contribution to the repulsive on-site Hubbard interaction.
It is known that the separation of electrons into spinons and chargons, the spin-charge separation, plays a decisive role when describing one-dimensional (1D) strongly correlated systems [ Phys. Rev. B 2012 , 86 , 075132 ]. In this paper, within the density-functional theory (DFT) formalism, we extend the investigation by considering a model for the third electron fractionalization: the separation into spinons, chargons and orbitons, the last associated with the electronic orbital degree of freedom. Specifically, we deal with two exact constraints of exchange-correlation (XC) density-functionals: (i) the constancy of the highest occupied (HO) Kohn-Sham (KS) eigenvalues upon fractional electron numbers and (ii) their discontinuities at integers. By means of 1D discrete Hubbard chains and 1D H2 molecules in the continuum, we find that spin-charge separation yields almost constant HO KS eigenvalues, whereas the spin-orbital counterpart can be decisive when describing derivative discontinuities of XC potentials at strong correlations.
One of the central issues in the study of high-temperature superconducting cuprates which are composed of two-dimensional (2D) CuO 2 planes is whether the 2D systems with strong electron correlation behave as a Fermi liquid or a non-Fermi-liquid-like one-dimensional (1D) system with electron correlation. In this article, we start with the detailed examination of the electronic structure in cuprates and study theoretically the spin and charge dynamics in 1D and 2D cuprates. The theoretical background of spin-charge separation in the 1D model systems including the Hubbard and t - J models is presented. The first direct observation of collective modes of spin and charge excitations in a 1D cuprate, which are called spinons and holons respectively, in angle-resolved photoemission spectroscopy (ARPES) experiments is reviewed in the light of the theoretical results based on the numerically exact-diagonalization method. The charge and spin dynamics in 1D insulating cuprates is also discussed in connection with the spin-charge separation. The arguments are extended to the 2D cuprates, and the unique aspects of the electronic properties of high-temperature superconductors are discussed. Special emphasis is placed on the d-wave-like excitations in insulating 2D cuprates observed in ARPES experiments. We explain how the excitations are caused by the spin-charge separation. The charge stripes observed in the underdoped cuprates are examined in connection with spin-charge separation in real space.
The physics of interacting quantum wires has attracted a lot of attention recently. When the density of electrons in the wire is very low, the strong repulsion between electrons leads to the formation of a Wigner crystal. We review the rich spin and orbital properties of the Wigner crystal, in both the one-dimensional and the quasi-one-dimensional regimes. In the one-dimensional Wigner crystal the electron spins form an antiferromagnetic Heisenberg chain with exponentially small exchange coupling. In the presence of leads, the resulting inhomogeneity of the electron density causes a violation of spin-charge separation. As a consequence the spin degrees of freedom affect the conductance of the wire. Upon increasing the electron density, the Wigner crystal starts deviating from the strictly one-dimensional geometry, forming a zigzag structure instead. Spin interactions in this regime are dominated by ring exchanges, and the phase diagram of the resulting zigzag spin chain has a number of unpolarized phases as well as regions of complete and partial spin polarization. Finally we address the orbital properties in the vicinity of the transition from a one-dimensional to a quasi-one-dimensional state. Due to the locking between chains in the zigzag Wigner crystal, only one gapless mode exists. Manifestations of Wigner crystal physics at weak interactions are explored by studying the fate of the additional gapped low-energy mode as a function of interaction strength.
Exotic elementary objects such as "holons" and "spinons", which are widely used in descriptions of correlated electrons in reduced spatial dimensions, were introduced from analysis of the excitation branches of one-dimensional (1D) models. The 1D Hubbard model with effective nearest-neighbor hopping integral t and on-site repulsion U is a prominent example. In the last twenty years a large number of angle-resolved photoemission spectroscopy experiments as well as electron energy-loss spectroscopic studies and high-resolution resonant inelastic X-ray experiments on several quasi-1D metals and quasi-1D Mott-Hubbard insulators have observed separate charge and spin spectral features, which have been identified with "holons" and "spinons". The elementary objects emerging within non-perturbative 1D correlated systems play now the same role in actual low-dimensional materials as Fermi-liquid quasiparticles in three-dimensional metals. The main goal of this paper is the review of representations of the 1D Hubbard model physics in terms of elementary objects whose configurations generate the energy eigenstates from the electron or hole vacuum. In addition, the relation to the holon and spinon representations is discussed and clarified.
Abstract. The physics of interacting quantum wires has attracted a lot of attention recently. When the density of electrons in the wire is very low, the strong repulsion between electrons leads to the formation of a Wigner crystal. We review the rich spin and orbital properties of the Wigner crystal, both in the one-dimensional and quasi-one-dimensional regime. In the one-dimensional Wigner crystal the electron spins form an antiferromagnetic Heisenberg chain with exponentially small exchange coupling. In the presence of leads the resulting inhomogeneity of the electron density causes a violation of spin-charge separation. As a consequence the spin degrees of freedom affect the conductance of the wire. Upon increasing the electron density, the Wigner crystal starts deviating from the strictly one-dimensional geometry, forming a zigzag structure instead. Spin interactions in this regime are dominated by ring exchanges, and the phase diagram of the resulting zigzag spin chain has a number of unpolarized phases as well as regions of complete and partial spin polarization. Finally we address the orbital properties in the vicinity of the transition from a onedimensional to a quasi-one-dimensional state. Due to the locking between chains in the zigzag Wigner crystal, only one gapless mode exists. Manifestations of Wigner crystal physics at weak interactions are explored by studying the fate of the additional gapped low-energy mode as a function of interaction strength. PACS numbers: 71.10.Pm2 1.
This dissertation discussed four low-dimensional systems: Hubbard ladder and its 2D extension, anisotropic Hubbard ladder, one-dimensional two-orbital t-J model, and Kondo model. All of them are of strongly correlated. Doped cuprates, as strongly correlated systems, have attracted a lot of attention in the condensed matter physics community, not just from the purely theoretical perspective, but also due to the novel applications beyond the conventional semiconductor paradigm. They display complicated phase diagram, defying the conventional rigid band theory, shaking our common sense and driving us to wrestle with many-body physics. With the aid of advanced experimental techniques such as ARPES, its various exotic electronic structure, such as waterfalls, hole pockets, Fermi arcs and kinks have been unveiled and remain open to interpretation. To attack such complicated problems, people usually build various models to mimic the CuO2 planes, which is the common feature of various cuprate compounds and is believed to be mainly responsible for their complicated properties, especially the high temperature superconductivity. In Chapter 3, we simulated the spectral properties of the 2- leg single-band Hubbard ladder and its 2-dimensional extension at and away from half-lling using the numerical tool: the combination of Cluster Perturbation Theory (CPT) with the time-dependent density matrix renormalization group method (tDMRG) as a solver. The main features of the spectrum can be described with a mean-eld dispersion, with kinks and pseudogap traced back to scattering between spin and charge degrees of freedom. As a bonus, we nd that the spectrum of hubbard ladder involves spin-polaron, the bound state of spinon and holon. Interacting one-dimensional electron systems generically behave dierent from higher dimensional systems in the sense that its low-energy excitations are described by Luttinger liquid theory as collective bosonic modes carrying spin and charge separately, the so-called spinons and holons, rather than the coherent quasi-particles in Fermi liquid theory. This phenomenon is known as spin-charge separation, an intrinsic property of 1D system. It can be thought of as a particular case of electron fractionalization. When multiple 1D chains get coupled, how the picture changes? In Chapter 4, we study the spectral function of the anisotropic 2-leg Hubbard ladder, one of the simplest multiple-chain systems. The spectrum can be understood as the scattering resultants of spinon and holons: As the inter-chain hopping is increased, the continuum in the bonding channel moves to higher energies and spinon and holon branches merge into a single coherent quasi-particle band. Simultaneously, the spectrum undergoes a crossover from a regime with two minima at incommensurate values of kx (a Mott insulator), to one with a single minimum at kx = (a band insulator). In addition, the spectrum contains a continuum of scattering states consisting of a triplon and a polaron, accompanied by the formation of bound states with higher spin 3 2 , ferromagnetic \spin bags" in which the hole can move freely. To analyze the formation of quasi-particle, we study the time-evolution of charge and spin degrees of freedom in real space after a hole is injected, which indicates that incoherent holons and spinons can emerge into polarons, that can propagate coherently, after a characterstic time . Multiorbital systems can involve Mott and Hund physics, and are rich in various phenomena, including orbital selective Mott transitions, spin-orbital separations, and pairing density wave due to the complex interplay between spin, charge and orbital degrees of freedom. Therefore, it can capture many unique features in real strongly correlated systems, such as iron pnictides and ruthenates, and thus attract a lot of investigations. In Chapter 5, we comprehensively study a one-dimensional two-orbital model at and below quarter lling, which realizes a number of unconventional phases, by means of DMRG and some analytical calculations. In particular, we nd that the system supports an extensive density wave in which excitons quasicondense with nite center-of-mass momentum. In this phase, excitons behave as hardcore bosons without charge order. In addition, excitons can pair to form biexcitons in a state that is close to a charge density wave instability. Finally, a genuine orbital-selective paired state (metallic plus spin-gapped superconductor) can be realized when pairing dominates over the interorbital repulsion. Kondo problem, as one of the most studied and best understood correlated systems, has been studied by various techniques, but the internal structure of its ground state has two deeply con icting pictures: At strong coupling limit, the system is essentially composed of a scattering center, which is a tightly bound singlet formed by the impurity and a localized electron at r0, and the remaining conduction electrons that are decoupled to the impurity and remain almost \free". At weak enough couplings, the singlet extends to the entire volume and the impurity will couple mostly to one electron at the Fermi level. In chapter 6, we provide a coherent picture to unveil the puzzle in the context of quantum information theory by deconstructing the Kondo singlet, both in real and energy space, and measuring the spin correlations between the impurity and the invididual free electron eigenstate based on two dierent measures. As a bonus, we can identify \projected natural orbitals" that can be used as a \good" approximate wavefunctions for simulations, and a quasi-order parameter that determines the crossover from weak to strong coupling regimes and furthermore oers the means to measure the Kondo screening length K. This screening length might be used to characterize the \size" of the Kondo cloud.