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Two channels of scattering of Hubbard chain electrons with spin and orbital interactions (exact results)

Anatoliy F. Zhuravlyov

Published Jan 1, 2001• 0 citations
OpenAlex

Abstract

A simple way to determine the channel of scattering of the Hubbard chain electrons with additional quantum number, which means the orbital or band characteristic, is demonstrated on the integrable 1D modified Hubbard model. Exact solutions are obtained for each scattering channel of the electrons. The preferable channel is determined by means of numerical calculations of the ground-state energies and comparison its values. The dependence of the scattering matrices on the parameters of Coulomb, orbital (band), and spin interactions gives the possibility to present the properties of the system considered in different ranges (reasonable in physics sense) of parameters which correspond to the electron coupling. The ratio between magnetic susceptibility and heat capacity of the model is presented.

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Coulomb, orbital, and spin interactions in 1D exactly solved model

Anatoliy F. Zhuravlyov

Large number of actual heavy-fermionic alloys display non-Fermi liquid behavior [l]. Recent achievements in the description of 1D models give the possibility to indicate some mechanisms of forming special properties of fermionic systems. Usual parameters of these models are Coulomb, orbital, and spin interaction. An 1D integrable model of the Hubbard's chain of the electrons with the model orbital interaction is presented. Exact solutions were obtained for different scattering channels of the electrons, namely the spin and orbital one. The preferable channel of the scattering was determined by means of numerical calculations and comparison of the energy levels of each scattering channel. The dependence of the scattering matrix on the parameters of Coulomb, orbital, and spin interactions gives the possibility to present the properties of the considered system in different ranges of these parameters and to determine the values of parameters which correspond to the electron coupling.

Journal de Physique IV (Proceedings)•Mar 1, 2000•1 citation

Two-orbital Hubbard model vs spin S=1 Heisenberg model: studies on clusters

R. Lemański, Matysiak

We perform exact numeric calculations for the two-orbital Hubbard model on the four-site cluster.In the limit of large on-site coupling the model becomes equivalent to the spin S " 1 Heisenberg model.By comparing energy spectra of these two models, we quantified the range of interaction parameters for which the Heisenberg model satisfactorily reproduces the two-orbital Hubbard model.Then we examined how the spectrum evolves when we are outside of this region, focusing especially on checking of how it is modified when various ways of interatomic hoppings of electrons between different orbitals are taken into account.We finally show how these modifications affect the dependence of specific heat on temperature.

arXiv:1809.09483•Condensed Matter Physics•Sep 1, 2018•3 citations

Ground state of the one-dimensional half-filled Hubbard model

N. I. Chashchin

We investigate the ground state (T = 0 K) of the one-dimensional symmetrical (n = 1) Hubbard model formalized in terms of the system of integral equations, which we previously obtained using the method of the generating functional of Green’s functions with the subsequent Legendre transformation. In a wide range of variations in the parameter of Coulomb interaction U, the following characteristics of the system have been calculated: the electron density of states, the electron band spectrum, the number of doubly occupied lattice sites, the localized magnetic moment, the correlator of the square of the longitudinal component of spin at a site,<S Z 2>, and the internal energy of the system. It has been shown that, for all U > 0, the model yields two solutions, i.e., an antiferromagnetic insulator and a paramagnetic insulator, in which there are no single-electron quasi-particles at the Fermi level. The energy of the paramagnetic solution in the region of U < 1.1 is considerably less than that of the antiferromagnetic solution for the case of U > 1.1, we have the opposite situation.

The Physics of Metals and Metallography•Jul 1, 2016•0 citations

Exact Results on Extended Hubbard Models on One-Dimensional Chains

Fabrizio Dolcini

This PhD thesis is concerned with the investigation of Extended Hubbard Models on one-dimensional lattices (chains); the approach used to such investigation is that of determining exact results. The extended Hubbard models are models of correlated electrons on lattices; they are the extensions of a model proposed by Hubbard in \\cite{HUB} to explain the metal-insulator transition in $d$-transition compounds as the effect of electronic correlations, usually neglected in band theories. Later on, a need for extensions of such model was first felt within the context of high-temperature superconductivity; indeed, the different behaviour of doped cuprates with respect to conventional superconductors suggested that a microscopic theory of this phenomenon could be formulated in terms of electron-electron interaction, without explicitly invoking the phonon coupling, like in BCS theory. Although an exhaustive microscopic formulation for cuprate superconductivity has not been achieved yet, the Extended Hubbard Models have been in the meanwhile applied to other problems in condensed matter; they are actually considered the reference paradigm for treating all those systems in which electronic correlations cannot be neglected. \\\\As observed above, this thesis focuses in particular on 1-D chains: indeed in last years the progress in technological synthesization and small-scale observations has shown that there are many classes of materials exhibiting a strong one-dimensional character, such as organic (super)conductors, linear-chain polymers, quantum wires, quantum-dot chains, one-dimensional cuprates. Many experimental results confirm that such materials exhibit a quite rich behaviour, with different phases, charge-spin separation, as well as a strong electronic correlations. However, a sufficient understanding of these phenomena on a theoretical point of view has not been reached yet. This is due to the fact the usual theoretical methods can be shown to fail in D=1, and theoreticians are thus forced to develop new schemes for approaching the problem of many interacting fermions in such dimension. The latter therefore represents a fascinating challenge. Some progress has been made and many aspects are nowadays more clear; nevertheless, due to the lack of traditional techniques, the need for a comparison with exact results is perhaps more urgent in D=1 than in higher dimensions. The aim of this thesis is to provide some results to the research in this field. The present work is organized as follows: the two first chapters are introductory, while chapters 3 and 4 mostly contain the author's original contribution. More explicitly, {\\bf chapter 1} is an introduction to the Hubbard models (both the ordinary and the Extended) and is meant for the reader who is non-familiar with these models. We tried to emphasize the motivation that historically led to their introduction and the physical contexts in which they are applied, not necessarily in one-dimension. \\\\{\\bf Chapter 2} is instead devoted to general problematics of one dimensional physics. We have tried to stress that there is a number of physically interesting materials that can be regarded as actual 1-D systems; we give a brief account of the difficulties leading the usual theoretical approaches, such as mean-field and Fermi Liquid, to fail in D=1. While briefly describing the important results of the proposed alternative formulations (Luttinger Liquid, Renormalization Group), we also point out the points that are still unsatisfactory, and emphasize the importance that exactly integrable models have in this field. \\\\Matching the subjects of chapter 1 and 2, the subsequent ones contain the results of our investigation of exactly solvable Extended Hubbard model on 1-D chains. \\\\We wish to emphasize to the reader non familiar with integrable systems that the literature on this subject is often strongly concerned with the mathematical aspects of the involved methods, leaving the determination of the physical features of the derived integrable models as a secondary issue. On the contrary, we believe that both aspects of the research deserve a relevant role in the study. For these reasons, while chapter 3 contains new results about the general formulation of integrability for fermionic systems, chapter 4 is devoted to the investigation of the physical features for some models whose integrability has been proved in the previous chapter. \\\\More explicitly, in {\\bf chapter 3} (apart from a preliminary introduction of sec.3.1) the theory of integrable {\\it fermionic} systems has been developed within the frame of the Quantum Inverse Scattering Method (QISM). The latter is a technique for obtaining integrable models, traditionally formulated with success for spin systems; its more recent application to electron systems was leaving many unsatisfactory aspects. To overcome this weaknesses, in sec.3.2 we both clarify the theory of matrix representation for fermionic operators, and describe a method for obtaining integrable models of fermions (straightforwardly readable in terms of fermion operators), starting from the the solutions of a $\\mathbb{C}$-number equation (known as Yang-Baxter Equation). In sec.3.3 we first work out a general method of search for solutions of such equation; secondly we explicitly find 96 solutions, corresponding to 96 integrable Extended Hubbard models (most of which are new) for which a set of mutually commuting operators is proved to exist. In sec.3.4 we formulate a general theorem concerning the symmetries of the integrable models in QISM, and widely discuss the symmetries and supersymmetries for the class of extended Hubbard Models.\\\\ {\\bf Chapter 4} is devoted to the investigation of the physical properties of the integrable Extended Hubbard models found in chapter 3. We introduce a technique, called Sutherland's species technique, that, when applicable, yields an effective reduction of the Hilbert space and considerably simplifies the problem of diagonalizing the Hamiltonian. In fact, such technique is proved to be applicable to all the 96 models found above, and is used to determine the exact ground state phase diagram and the thermodynamics of the models. In particular we both recover in a quite straightforward way the phase diagram of a known model, and that of two new models (Model 2 and Model 3) that were not known before. \\\\The phase diagram exhibit structured forms with respect to the filling (density of electrons) and the on-site Coulomb repulsion ($U$); the pressure and the compressibility in the ground state are also calculated. Model 2 exhibits a superconducting phase particularly enhanced towards positive values of $U$, as well as a band-controlled insulator-superconductor transition at half filling; model 3 is the first example of exactly solved model with an asymmetric shape with respect to half-filling, due to the absence of particle-hole invariance of the Hamiltonian; a filling controlled metal-insulator transition is found to occur for this model. Generalizations to the other cases are also discussed. \\\\As to the thermodynamics, we compute the exact partition function of Model 3, which we believe to be particular worth of interest due to the above asymmetry. We then derive the exact specific heat of the model as a function of the temperature, which exhibits an interesting two-peak behaviour as well as a nearly universal crossing point. These results are discussed and compared with similar ones present in the literature. The chapters are of course linked each to another according to the above scheme; nevertheless, it has been a purpose of the author to make them as independently readable as possible. In particular, the reader who is more interested in the physical aspects of the models rather than in the general formalism of fermionic QISM can skip chapter 3 (at least in a first-sight reading) and pass directly to chapter 4; apart from some references to previous formulas the understanding should not be affected.\\\\{\\it \\noindent \\underline{Notational Remark:}} The customary symbol to denote the electron filling is $n$; this has in fact been used throughout the two first introductory chapters. Nevertheless, in order to avoid possible misunderstanding with other extensive quantities, in chapter 3~and~4~the~symbol~has been changed into $\\rho$

•Jan 1, 2001•0 citations

Thermodynamic Properties of the One-Dimensional Half-Filled-Band Hubbard Model. II

Hiroyuki Shiba

In order to determine finite-temperature properties of the infinite one-dimensional Hubbard model for the half-filled band, finite systems such as chains with 2 to 5 atoms and rings with 4 and 6 atoms are studied with the application of the grand canonical ensemble. The obtained temperature dependence of the specific heat, the entropy, the magnetic susceptibility and some correlation functions clearly shows a rearrangement of the electronic state of the system with the increase of the strength of the Coulomb interaction relative to the transfer integral. In the light of our new results the functional integral approach recently proposed by Kimball and Schrieffer as well as Hubbard's approximate theory is examined.

Progress of Theoretical Physics•Dec 1, 1972•280 citations

Analysis of Electron Correlation in the Modified Single-band Hubbard Model

Edison A. Enaibe, Akpata Erhieyovwe, Nelson Oyindenyifa Nenuwe

The major characteristic of the single-band Hubbard model (HM) is to redistribute electrons at a uniform lattice separation distance within the molecular lattice. Hence, it is only linearly dependent on lattice separations distance. Thus the single-band Hubbard model does not consider the lattice gradient encountered by interacting electrons as they hop from one lattice point to another. The linear dependence of the single-band HM only on lattice separations would certainly not provide a thorough understanding of the interplay between interacting electrons. Consequently, we have in this study developed a gradient Hamiltonian model to solve the associated defects pose by the limitations of the single band Hubbard model. Thus, we utilized the single-band HM and the gradient Hamiltonian model to study the behaviour of two interacting electrons on a two dimensional (2D) 9X9 square lattice. It is revealed in this study that the results of the ground-state energies produced by the gradient Hamiltonian model are more favourable when compared to those of the single-band Hubbard model. We have also shown in this work, that the repulsive Coulomb interaction which in part leads to the strong electronic correlations, would indicate that the two electron system prefer not to condense into s-wave superconducting singlet state (s = 0), at high positive values of the interaction strength.

Physical Science International Journal•Jan 10, 2016•0 citations
A simple way to determine the channel of scattering of the Hubbard chain electrons with additional quantum number, which means the orbital or band characteristic, is demonstrated on the integrable 1D modified Hubbard model. Exact solutions are obtained for each scattering channel of the electrons. The preferable channel is determined by means of numerical calculations of the ground-state energies and comparison its values. The dependence of the scattering matrices on the parameters of Coulomb, orbital (band), and spin interactions gives the possibility to present the properties of the system considered in different ranges (reasonable in physics sense) of parameters which correspond to the electron coupling. The ratio between magnetic susceptibility and heat capacity of the model is presented.
Large number of actual heavy-fermionic alloys display non-Fermi liquid behavior [l]. Recent achievements in the description of 1D models give the possibility to indicate some mechanisms of forming special properties of fermionic systems. Usual parameters of these models are Coulomb, orbital, and spin interaction. An 1D integrable model of the Hubbard's chain of the electrons with the model orbital interaction is presented. Exact solutions were obtained for different scattering channels of the electrons, namely the spin and orbital one. The preferable channel of the scattering was determined by means of numerical calculations and comparison of the energy levels of each scattering channel. The dependence of the scattering matrix on the parameters of Coulomb, orbital, and spin interactions gives the possibility to present the properties of the considered system in different ranges of these parameters and to determine the values of parameters which correspond to the electron coupling.
We perform exact numeric calculations for the two-orbital Hubbard model on the four-site cluster.In the limit of large on-site coupling the model becomes equivalent to the spin S " 1 Heisenberg model.By comparing energy spectra of these two models, we quantified the range of interaction parameters for which the Heisenberg model satisfactorily reproduces the two-orbital Hubbard model.Then we examined how the spectrum evolves when we are outside of this region, focusing especially on checking of how it is modified when various ways of interatomic hoppings of electrons between different orbitals are taken into account.We finally show how these modifications affect the dependence of specific heat on temperature.
We investigate the ground state (T = 0 K) of the one-dimensional symmetrical (n = 1) Hubbard model formalized in terms of the system of integral equations, which we previously obtained using the method of the generating functional of Green’s functions with the subsequent Legendre transformation. In a wide range of variations in the parameter of Coulomb interaction U, the following characteristics of the system have been calculated: the electron density of states, the electron band spectrum, the number of doubly occupied lattice sites, the localized magnetic moment, the correlator of the square of the longitudinal component of spin at a site,<S Z 2>, and the internal energy of the system. It has been shown that, for all U > 0, the model yields two solutions, i.e., an antiferromagnetic insulator and a paramagnetic insulator, in which there are no single-electron quasi-particles at the Fermi level. The energy of the paramagnetic solution in the region of U < 1.1 is considerably less than that of the antiferromagnetic solution for the case of U > 1.1, we have the opposite situation.
This PhD thesis is concerned with the investigation of Extended Hubbard Models on one-dimensional lattices (chains); the approach used to such investigation is that of determining exact results. The extended Hubbard models are models of correlated electrons on lattices; they are the extensions of a model proposed by Hubbard in \\cite{HUB} to explain the metal-insulator transition in ddd-transition compounds as the effect of electronic correlations, usually neglected in band theories. Later on, a need for extensions of such model was first felt within the context of high-temperature superconductivity; indeed, the different behaviour of doped cuprates with respect to conventional superconductors suggested that a microscopic theory of this phenomenon could be formulated in terms of electron-electron interaction, without explicitly invoking the phonon coupling, like in BCS theory. Although an exhaustive microscopic formulation for cuprate superconductivity has not been achieved yet, the Extended Hubbard Models have been in the meanwhile applied to other problems in condensed matter; they are actually considered the reference paradigm for treating all those systems in which electronic correlations cannot be neglected. \\\\As observed above, this thesis focuses in particular on 1-D chains: indeed in last years the progress in technological synthesization and small-scale observations has shown that there are many classes of materials exhibiting a strong one-dimensional character, such as organic (super)conductors, linear-chain polymers, quantum wires, quantum-dot chains, one-dimensional cuprates. Many experimental results confirm that such materials exhibit a quite rich behaviour, with different phases, charge-spin separation, as well as a strong electronic correlations. However, a sufficient understanding of these phenomena on a theoretical point of view has not been reached yet. This is due to the fact the usual theoretical methods can be shown to fail in D=1, and theoreticians are thus forced to develop new schemes for approaching the problem of many interacting fermions in such dimension. The latter therefore represents a fascinating challenge. Some progress has been made and many aspects are nowadays more clear; nevertheless, due to the lack of traditional techniques, the need for a comparison with exact results is perhaps more urgent in D=1 than in higher dimensions. The aim of this thesis is to provide some results to the research in this field. The present work is organized as follows: the two first chapters are introductory, while chapters 3 and 4 mostly contain the author's original contribution. More explicitly, {\\bf chapter 1} is an introduction to the Hubbard models (both the ordinary and the Extended) and is meant for the reader who is non-familiar with these models. We tried to emphasize the motivation that historically led to their introduction and the physical contexts in which they are applied, not necessarily in one-dimension. \\\\{\\bf Chapter 2} is instead devoted to general problematics of one dimensional physics. We have tried to stress that there is a number of physically interesting materials that can be regarded as actual 1-D systems; we give a brief account of the difficulties leading the usual theoretical approaches, such as mean-field and Fermi Liquid, to fail in D=1. While briefly describing the important results of the proposed alternative formulations (Luttinger Liquid, Renormalization Group), we also point out the points that are still unsatisfactory, and emphasize the importance that exactly integrable models have in this field. \\\\Matching the subjects of chapter 1 and 2, the subsequent ones contain the results of our investigation of exactly solvable Extended Hubbard model on 1-D chains. \\\\We wish to emphasize to the reader non familiar with integrable systems that the literature on this subject is often strongly concerned with the mathematical aspects of the involved methods, leaving the determination of the physical features of the derived integrable models as a secondary issue. On the contrary, we believe that both aspects of the research deserve a relevant role in the study. For these reasons, while chapter 3 contains new results about the general formulation of integrability for fermionic systems, chapter 4 is devoted to the investigation of the physical features for some models whose integrability has been proved in the previous chapter. \\\\More explicitly, in {\\bf chapter 3} (apart from a preliminary introduction of sec.3.1) the theory of integrable {\\it fermionic} systems has been developed within the frame of the Quantum Inverse Scattering Method (QISM). The latter is a technique for obtaining integrable models, traditionally formulated with success for spin systems; its more recent application to electron systems was leaving many unsatisfactory aspects. To overcome this weaknesses, in sec.3.2 we both clarify the theory of matrix representation for fermionic operators, and describe a method for obtaining integrable models of fermions (straightforwardly readable in terms of fermion operators), starting from the the solutions of a mathbbC\\mathbb{C}mathbbC-number equation (known as Yang-Baxter Equation). In sec.3.3 we first work out a general method of search for solutions of such equation; secondly we explicitly find 96 solutions, corresponding to 96 integrable Extended Hubbard models (most of which are new) for which a set of mutually commuting operators is proved to exist. In sec.3.4 we formulate a general theorem concerning the symmetries of the integrable models in QISM, and widely discuss the symmetries and supersymmetries for the class of extended Hubbard Models.\\\\ {\\bf Chapter 4} is devoted to the investigation of the physical properties of the integrable Extended Hubbard models found in chapter 3. We introduce a technique, called Sutherland's species technique, that, when applicable, yields an effective reduction of the Hilbert space and considerably simplifies the problem of diagonalizing the Hamiltonian. In fact, such technique is proved to be applicable to all the 96 models found above, and is used to determine the exact ground state phase diagram and the thermodynamics of the models. In particular we both recover in a quite straightforward way the phase diagram of a known model, and that of two new models (Model 2 and Model 3) that were not known before. \\\\The phase diagram exhibit structured forms with respect to the filling (density of electrons) and the on-site Coulomb repulsion (UUU); the pressure and the compressibility in the ground state are also calculated. Model 2 exhibits a superconducting phase particularly enhanced towards positive values of UUU, as well as a band-controlled insulator-superconductor transition at half filling; model 3 is the first example of exactly solved model with an asymmetric shape with respect to half-filling, due to the absence of particle-hole invariance of the Hamiltonian; a filling controlled metal-insulator transition is found to occur for this model. Generalizations to the other cases are also discussed. \\\\As to the thermodynamics, we compute the exact partition function of Model 3, which we believe to be particular worth of interest due to the above asymmetry. We then derive the exact specific heat of the model as a function of the temperature, which exhibits an interesting two-peak behaviour as well as a nearly universal crossing point. These results are discussed and compared with similar ones present in the literature. The chapters are of course linked each to another according to the above scheme; nevertheless, it has been a purpose of the author to make them as independently readable as possible. In particular, the reader who is more interested in the physical aspects of the models rather than in the general formalism of fermionic QISM can skip chapter 3 (at least in a first-sight reading) and pass directly to chapter 4; apart from some references to previous formulas the understanding should not be affected.\\\\{\\it \\noindent \\underline{Notational Remark:}} The customary symbol to denote the electron filling is nnn; this has in fact been used throughout the two first introductory chapters. Nevertheless, in order to avoid possible misunderstanding with other extensive quantities, in chapter 3~and~4~the~symbol~has been changed into rho\\rhorho
In order to determine finite-temperature properties of the infinite one-dimensional Hubbard model for the half-filled band, finite systems such as chains with 2 to 5 atoms and rings with 4 and 6 atoms are studied with the application of the grand canonical ensemble. The obtained temperature dependence of the specific heat, the entropy, the magnetic susceptibility and some correlation functions clearly shows a rearrangement of the electronic state of the system with the increase of the strength of the Coulomb interaction relative to the transfer integral. In the light of our new results the functional integral approach recently proposed by Kimball and Schrieffer as well as Hubbard's approximate theory is examined.
The major characteristic of the single-band Hubbard model (HM) is to redistribute electrons at a uniform lattice separation distance within the molecular lattice. Hence, it is only linearly dependent on lattice separations distance. Thus the single-band Hubbard model does not consider the lattice gradient encountered by interacting electrons as they hop from one lattice point to another. The linear dependence of the single-band HM only on lattice separations would certainly not provide a thorough understanding of the interplay between interacting electrons. Consequently, we have in this study developed a gradient Hamiltonian model to solve the associated defects pose by the limitations of the single band Hubbard model. Thus, we utilized the single-band HM and the gradient Hamiltonian model to study the behaviour of two interacting electrons on a two dimensional (2D) 9X9 square lattice. It is revealed in this study that the results of the ground-state energies produced by the gradient Hamiltonian model are more favourable when compared to those of the single-band Hubbard model. We have also shown in this work, that the repulsive Coulomb interaction which in part leads to the strong electronic correlations, would indicate that the two electron system prefer not to condense into s-wave superconducting singlet state (s = 0), at high positive values of the interaction strength.