arXiv:cond-mat/9902173 · Physical review. B, Condensed matter

Even-odd and super-even effects in the attractive Hubbard model

Kaori Tanaka, F. Marsiglio

Published Aug 1, 1999• 18 citations

Abstract

The canonical BCS wave function is tested for the attractive Hubbard model. Results are presented for one dimension, and are compared with the exact solutions by the Bethe ansatz and the results from the conventional grand canonical BCS approximation, for various chain lengths, electron densities, and coupling strengths. While the exact ground state energies are reproduced very well both by the canonical and grand canonical BCS approximations, the canonical method significantly improves the energy gaps for small systems and weak coupling. The ``parity'' effect emerges naturally in our canonical results, as a positive gap for an even number of electrons and a negative ``gap'' for an odd number of electrons. Furthermore, we find a ``super-even'' effect: the energy gap oscillates as a function of even electron number, depending on whether the number of electrons is $4m$ or $4m+2 (m$ integer). Such oscillations as a function of electron number should be observable with tunneling measurements in ultrasmall metallic grains.

DOI: 10.1103/physrevb.60.3508

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arXiv:cond-mat/9902173 · Physical review. B, Condensed matter

Even-odd and super-even effects in the attractive Hubbard model

Kaori Tanaka, F. Marsiglio

Published Aug 1, 1999• 18 citations

arXiv HTML PDF

Abstract

parity'' effect emerges naturally in our canonical results, as a positive gap for an even number of electrons and a negative

gap'' for an odd number of electrons. Furthermore, we find a ``super-even'' effect: the energy gap oscillates as a function of even electron number, depending on whether the number of electrons is

4m

4m+2 (m

integer). Such oscillations as a function of electron number should be observable with tunneling measurements in ultrasmall metallic grains.

DOI: 10.1103/physrevb.60.3508

Related papers

Canonical BCS approximation for the attractive Hubbard model

K. Tanaka, F. Marsiglio

We test the canonical BCS wave functions for fixed number of electrons for the attractive Hubbard model. We present results in one dimension for various chain lengths, electron densities, and coupling strengths. The ground-state energy and energy gap to the first excited state are compared with the exact solutions obtained by the Bethe ansatz as well as with the results from the conventional grand-canonical BCS approximations. While the canonical and grand-canonical BCS results are both in very good agreement with the exact results for the ground state energies, improvements due to conserving the electron number in finite systems are manifest in the energy gap. As the system size is increased, the canonical results converge to the grand-canonical ones. The ``parity'' effect that arises from the number parity (even or odd) of electrons are studied with our canonical scheme.We test the canonical BCS wave functions for fixed number of electrons for the attractive Hubbard model. We present results in one dimension for various chain lengths, electron densities, and coupling strengths. The ground-state energy and energy gap to the first excited state are compared with the exact solutions obtained by the Bethe ansatz as well as with the results from the conventional grand-canonical BCS approximations. While the canonical and grand-canonical BCS results are both in very good agreement with the exact results for the ground state energies, improvements due to conserving the electron number in finite systems are manifest in the energy gap. As the system size is increased, the canonical results converge to the grand-canonical ones. The ``parity'' effect that arises from the number parity (even or odd) of electrons are studied with our canonical scheme.

arXiv:cond-mat/9902285AIP conference proceedingsJan 1, 19990 citations

Canonical BCS Approximation for the Attractive Hubbard Model

Kaori Tanaka, F. Marsiglio

Aug 15, 20160 citations

BCS and attractive Hubbard model comparative study

Nathan Salwen, Steven A. Sheets, Stephen R. Cotanch

We extend previous studies of the (BCS) canonical approach for the attractive Hubbard model. A derivation of the BCS formulation is presented for both the Hubbard model and a simpler reduced Hamiltonian. Using direct diagonalization, exact one- and two-dimensional solutions for both Hamiltonians are compared to BCS variational calculations. Approximate and exact ground state energies and energy gaps are computed for different electron number systems as well as correlation observables not previously predicted. Reproducing published one-dimensional findings, the BCS approach is an excellent approximation for the Hubbard ground state energy but not the energy gap, a finding that remains true in two dimensions. Propagators and correlators are found more sensitive to wave functions and appreciable differences are computed with the Hubbard model exhibiting a weaker degree of superconductivity than the BCS. Even for weak coupling pronounced differences are found between the BCS and Hubbard on-site correlators. Significantly, in the extreme strong coupling limit the Hubbard model exhibits no dimensional crossover, or density induced transitions, to long-range order in two dimensions. However, for the reduced Hamiltonian the BCS approach is an excellent approximation for all observables in both one and two dimensions.We extend previous studies of the (BCS) canonical approach for the attractive Hubbard model. A derivation of the BCS formulation is presented for both the Hubbard model and a simpler reduced Hamiltonian. Using direct diagonalization, exact one- and two-dimensional solutions for both Hamiltonians are compared to BCS variational calculations. Approximate and exact ground state energies and energy gaps are computed for different electron number systems as well as correlation observables not previously predicted. Reproducing published one-dimensional findings, the BCS approach is an excellent approximation for the Hubbard ground state energy but not the energy gap, a finding that remains true in two dimensions. Propagators and correlators are found more sensitive to wave functions and appreciable differences are computed with the Hubbard model exhibiting a weaker degree of superconductivity than the BCS. Even for weak coupling pronounced differences are found between the BCS and Hubbard on-site correlators. Significantly, in the extreme strong coupling limit the Hubbard model exhibits no dimensional crossover, or density induced transitions, to long-range order in two dimensions. However, for the reduced Hamiltonian the BCS approach is an excellent approximation for all observables in both one and two dimensions.

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arXiv:cond-mat/9609275Physical review. B, Condensed matterJan 1, 199739 citations

Self-consistent and exact studies of pairing correlations and crossover in the one-dimensional attractive Hubbard model

ARMEN N. KOCHARIAN, Chia‐Wei Yang, Y. L. Chiang

Ground-state properties of the attractive Hubbard model in one dimension are studied by means of both the exact Bethe-ansatz formalism and the self-consistent field (SCF) approach with renormalized chemical potential for general band fillings n and a wide range of coupling strength $U/t.$ The energy, the concentration of double occupied sites, the kinetic energy and the chemical potential of the ground state are in a good numerical agreement with the exact results over a wide range of parameters $U/t$ and n. The concentration of local pairs or double occupied sites in the Bethe-ansatz solution serves as a suitable parameter measuring the electron pairing correlations. The SCF theory provides a simple analytical relationship between the concentration of double occupied sites, the band filling and the BCS order parameter, valid for arbitrary $U/t$ and n. The calculated energy gap, the BCS order parameter, the phase diagram and the compressibility are also discussed. The SCF theory in one dimension distinguishes the order parameter from the excitation gap and suggests a smooth crossover away from half-filling (at $n\ensuremath{\ne}1)$ from the BCS pairing to the Bose condensation regime under the variation of $U/t$ and n.Ground-state properties of the attractive Hubbard model in one dimension are studied by means of both the exact Bethe-ansatz formalism and the self-consistent field (SCF) approach with renormalized chemical potential for general band fillings n and a wide range of coupling strength $U/t.$ The energy, the concentration of double occupied sites, the kinetic energy and the chemical potential of the ground state are in a good numerical agreement with the exact results over a wide range of parameters $U/t$ and n. The concentration of local pairs or double occupied sites in the Bethe-ansatz solution serves as a suitable parameter measuring the electron pairing correlations. The SCF theory provides a simple analytical relationship between the concentration of double occupied sites, the band filling and the BCS order parameter, valid for arbitrary $U/t$ and n. The calculated energy gap, the BCS order parameter, the phase diagram and the compressibility are also discussed. The SCF theory in one dimension distinguishes the order parameter from the excitation gap and suggests a smooth crossover away from half-filling (at $n\ensuremath{\ne}1)$ from the BCS pairing to the Bose condensation regime under the variation of $U/t$ and n.

Physical review. B, Condensed matterMar 15, 199927 citations

Lattice density-functional theory of the attractive Hubbard model

Matthieu Saubanère, G. M. Pastor

The attractive Hubbard model is investigated in the framework of lattice density-functional theory (LDFT). The ground-state energy $E=T+W$ is regarded as a functional of the single-particle density matrix ${\ensuremath{\gamma}}_{ij}$ with respect to the lattice sites, where $T[\ensuremath{\gamma}]$ represents the kinetic and crystal-field energies and $W[\ensuremath{\gamma}]$ the interaction energy. Aside from the exactly known functional $T[\ensuremath{\gamma}]$, we propose a simple scaling approximation to $W[\ensuremath{\gamma}]$, which is based on exact analytic results for the attractive Hubbard dimer and on a scaling hypothesis within the domain of representability of $\ensuremath{\gamma}$. As applications, we consider one-, two-, and three-dimensional finite and extended bipartite lattices having homogeneous or alternating onsite energy levels. In addition, the Bethe lattice is investigated as a function of coordination number. Results are given for the kinetic, Coulomb, and total energies, as well as for the density distribution ${\ensuremath{\gamma}}_{ii}$, nearest-neighbor bond order ${\ensuremath{\gamma}}_{ij}$, and pairing energy $\ensuremath{\Delta}{E}_{p}$, as a function of the interaction strength $|U|/t$ , onsite potential $\ensuremath{\varepsilon}/t$, and band filling $n={N}_{e}/{N}_{a}$ . Remarkable even-odd and super-even oscillations of $\ensuremath{\Delta}{E}_{p}$ are observed in finite rings as a function of band filling. Comparison with exact Lanczos diagonalizations and density-matrix renormalization-group calculations shows that LDFT yields a very good quantitative description of the properties of the model in the complete parameter range, thus providing a significant improvement over the mean-field approaches. Goals and limitations of the method are discussed.The attractive Hubbard model is investigated in the framework of lattice density-functional theory (LDFT). The ground-state energy $E=T+W$ is regarded as a functional of the single-particle density matrix ${\ensuremath{\gamma}}_{ij}$ with respect to the lattice sites, where $T[\ensuremath{\gamma}]$ represents the kinetic and crystal-field energies and $W[\ensuremath{\gamma}]$ the interaction energy. Aside from the exactly known functional $T[\ensuremath{\gamma}]$, we propose a simple scaling approximation to $W[\ensuremath{\gamma}]$, which is based on exact analytic results for the attractive Hubbard dimer and on a scaling hypothesis within the domain of representability of $\ensuremath{\gamma}$. As applications, we consider one-, two-, and three-dimensional finite and extended bipartite lattices having homogeneous or alternating onsite energy levels. In addition, the Bethe lattice is investigated as a function of coordination number. Results are given for the kinetic, Coulomb, and total energies, as well as for the density distribution ${\ensuremath{\gamma}}_{ii}$, nearest-neighbor bond order ${\ensuremath{\gamma}}_{ij}$, and pairing energy $\ensuremath{\Delta}{E}_{p}$, as a function of the interaction strength $|U|/t$, onsite potential $\ensuremath{\varepsilon}/t$, and band filling $n={N}_{e}/{N}_{a}$. Remarkable even-odd and super-even oscillations of $\ensuremath{\Delta}{E}_{p}$ are observed in finite rings as a function of band filling. Comparison with exact Lanczos diagonalizations and density-matrix renormalization-group calculations shows that LDFT yields a very good quantitative description of the properties of the model in the complete parameter range, thus providing a significant improvement over the mean-field approaches. Goals and limitations of the method are discussed.

Physical Review BSep 17, 201412 citations

parity'' effect emerges naturally in our canonical results, as a positive gap for an even number of electrons and a negative

gap'' for an odd number of electrons. Furthermore, we find a ``super-even'' effect: the energy gap oscillates as a function of even electron number, depending on whether the number of electrons is

4m

4m+2 (m

integer). Such oscillations as a function of electron number should be observable with tunneling measurements in ultrasmall metallic grains.

U/t.

The energy, the concentration of double occupied sites, the kinetic energy and the chemical potential of the ground state are in a good numerical agreement with the exact results over a wide range of parameters

U/t

and n. The concentration of local pairs or double occupied sites in the Bethe-ansatz solution serves as a suitable parameter measuring the electron pairing correlations. The SCF theory provides a simple analytical relationship between the concentration of double occupied sites, the band filling and the BCS order parameter, valid for arbitrary

U/t

and n. The calculated energy gap, the BCS order parameter, the phase diagram and the compressibility are also discussed. The SCF theory in one dimension distinguishes the order parameter from the excitation gap and suggests a smooth crossover away from half-filling (at $n\ensuremath{\ne}1)$ from the BCS pairing to the Bose condensation regime under the variation of

U/t

and n.

The attractive Hubbard model is investigated in the framework of lattice density-functional theory (LDFT). The ground-state energy

E=T+W

is regarded as a functional of the single-particle density matrix ${\ensuremath{\gamma}}_{ij}$ with respect to the lattice sites, where $T[\ensuremath{\gamma}]$ represents the kinetic and crystal-field energies and $W[\ensuremath{\gamma}]$ the interaction energy. Aside from the exactly known functional $T[\ensuremath{\gamma}]$, we propose a simple scaling approximation to $W[\ensuremath{\gamma}]$, which is based on exact analytic results for the attractive Hubbard dimer and on a scaling hypothesis within the domain of representability of $\ensuremath{\gamma}$. As applications, we consider one-, two-, and three-dimensional finite and extended bipartite lattices having homogeneous or alternating onsite energy levels. In addition, the Bethe lattice is investigated as a function of coordination number. Results are given for the kinetic, Coulomb, and total energies, as well as for the density distribution ${\ensuremath{\gamma}}_{ii}$, nearest-neighbor bond order ${\ensuremath{\gamma}}_{ij}$, and pairing energy $\ensuremath{\Delta}{E}_{p}$, as a function of the interaction strength

|U|/t

, onsite potential $\ensuremath{\varepsilon}/t$, and band filling

n={N}_{e}/{N}_{a}

. Remarkable even-odd and super-even oscillations of $\ensuremath{\Delta}{E}_{p}$ are observed in finite rings as a function of band filling. Comparison with exact Lanczos diagonalizations and density-matrix renormalization-group calculations shows that LDFT yields a very good quantitative description of the properties of the model in the complete parameter range, thus providing a significant improvement over the mean-field approaches. Goals and limitations of the method are discussed.