arXiv:0904.4755 · New Journal of Physics

Magnetic phase diagram of the Hubbard model with next-nearest-neighbour hopping

Robert Peters, Thomas Pruschke

Published Aug 19, 2009• 17 citations

Abstract

We calculate the magnetic phase diagram of the Hubbard model for a Bethe lattice with nearest-neighbour (NN) hopping t 1 and next-nearest-neighbour (NNN) hopping t 2 in the limit of infinite coordination. We use the amplitude t 2 / t 1 of the NNN hopping to tune the density of states (DOS) of the non-interacting system from a situation with particle–hole symmetry to an asymmetric one with van-Hove singularities at the lower ( t 2 / t 1 >0) respectively upper ( t 2 / t 1 <0) band edge for large enough | t 2 / t 1 |. For this strongly asymmetric situation, we find rather extended parameter regions with ferromagnetic states and regions with antiferromagnetic states.

DOI: 10.1088/1367-2630/11/8/083022

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arXiv:0904.4755 · New Journal of Physics

Magnetic phase diagram of the Hubbard model with next-nearest-neighbour hopping

Robert Peters, Thomas Pruschke

Published Aug 19, 2009• 17 citations

arXiv HTML PDF

Abstract

DOI: 10.1088/1367-2630/11/8/083022

Related papers

Magnetic phase diagram of the Hubbard model with next-nearest-neighbour hopping

Robert Peters, Thomas Pruschke

Aug 5, 201318 citations

Two-dimensional Hubbard model with nearest- and next-nearest-neighbor hopping

H. Q. Lin, J. E. Hirsch

We study the magnetic properties of the two-dimensional Hubbard model with nearest-neighbor (t) and next-nearest-neighbor ( ${t}_{2}$ ) hopping and on-site repulsion U. We first calculate the mean-field phase diagram as a function of band filling and U. Because of the Van Hove singularity in the density of states, we find a ferromagnetic phase extending to zero U for certain band filling. For the half-filled band case, antiferromagnetism sets in at a finite value of U if ${t}_{2}$ \ensuremath{\ne}0. We study the behavior of spin-spin correlation functions for small lattices of up to N=64 atoms using Monte Carlo simulations, as well as exact diagonalization for N=4. Our results show enhanced ferromagnetic correlations in some regions, but apparently no ferromagnetic long-range order. In the half-filled case, our numerical results are consistent with a nonzero critical U. For a non-half-filled band our results suggest that there is no long-range order.We study the magnetic properties of the two-dimensional Hubbard model with nearest-neighbor (t) and next-nearest-neighbor (${t}_{2}$) hopping and on-site repulsion U. We first calculate the mean-field phase diagram as a function of band filling and U. Because of the Van Hove singularity in the density of states, we find a ferromagnetic phase extending to zero U for certain band filling. For the half-filled band case, antiferromagnetism sets in at a finite value of U if ${t}_{2}$\ensuremath{\ne}0. We study the behavior of spin-spin correlation functions for small lattices of up to N=64 atoms using Monte Carlo simulations, as well as exact diagonalization for N=4. Our results show enhanced ferromagnetic correlations in some regions, but apparently no ferromagnetic long-range order. In the half-filled case, our numerical results are consistent with a nonzero critical U. For a non-half-filled band our results suggest that there is no long-range order.

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Ferromagnetism in the Two Dimensional t − t ′ Hubbard Model at the Van Hove Density

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Using an improved version of the projection quantum Monte Carlo technique, we study the square-lattice Hubbard model with nearest-neighbor hopping $t$ and next-nearest-neighbor hopping ${t}^{\ensuremath{'}}$ by simulation of lattices with up to $20\ifmmode\times\else\texttimes\fi{}20$ sites. For a given ${R\phantom{\rule{0ex}{0ex}}=\phantom{\rule{0ex}{0ex}}2t}^{\ensuremath{'}}/t$, we consider that filling which leads to a singular density of states of the noninteracting problem. For repulsive interactions, we find an itinerant ferromagnet (antiferromagnet) for $R\phantom{\rule{0ex}{0ex}}=\phantom{\rule{0ex}{0ex}}0.94$ ( $R\phantom{\rule{0ex}{0ex}}=\phantom{\rule{0ex}{0ex}}0.2$ ). This is consistent with the prediction of the $T$ -matrix approximation, which sums the most singular set of diagrams.Using an improved version of the projection quantum Monte Carlo technique, we study the square-lattice Hubbard model with nearest-neighbor hopping $t$ and next-nearest-neighbor hopping ${t}^{\ensuremath{'}}$ by simulation of lattices with up to $20\ifmmode\times\else\texttimes\fi{}20$ sites. For a given ${R\phantom{\rule{0ex}{0ex}}=\phantom{\rule{0ex}{0ex}}2t}^{\ensuremath{'}}/t$, we consider that filling which leads to a singular density of states of the noninteracting problem. For repulsive interactions, we find an itinerant ferromagnet (antiferromagnet) for $R\phantom{\rule{0ex}{0ex}}=\phantom{\rule{0ex}{0ex}}0.94$ ( $R\phantom{\rule{0ex}{0ex}}=\phantom{\rule{0ex}{0ex}}0.2$). This is consistent with the prediction of the $T$-matrix approximation, which sums the most singular set of diagrams.

arXiv:cond-mat/9609253Physical Review LettersFeb 17, 1997138 citations

Phase diagram of the half-filled extended Hubbard model in two dimensions

Biplab Chattopadhyay, D. M. Gaitonde

We consider an extended Hubbard model of interacting fermions on a lattice. The fermion kinetic energy corresponds to a tight-binding Hamiltonian with nearest-neighbor (-t) and next-nearest-neighbor ( ${\mathrm{t}}^{|\mathrm{I}\mathrm{H}}$ ) hopping matrix elements. In addition to the on-site Hubbard interaction (U) we also consider a nearest-neighbor repulsion (V). We obtain the zero-temperature phase diagram of our model within the Hartree-Fock approximation. We consider ground states having charge- and spin-density-wave ordering as well as states with orbital antiferromagnetism or spin nematic order. The latter two states correspond to particle-hole binding with ${\mathrm{d}}_{{\mathrm{x}}^{2}\mathrm{\ensuremath{-}}{\mathrm{y}}^{2}}$ symmetry in the charge and spin channels, respectively. For ${\mathrm{t}}^{|\mathrm{I}\mathrm{H}}$ =0, only the charge-density-wave and spin-density-wave states are energetically stable. For nonzero ${\mathrm{t}}^{|\mathrm{I}\mathrm{H}}$ , we find that orbital antiferromagnetism (or spin nematic) order is stable over a finite portion of the phase diagram at weak coupling. This region of stability is seen to grow with increasing values of ${\mathrm{t}}^{|\mathrm{I}\mathrm{H}}$ .We consider an extended Hubbard model of interacting fermions on a lattice. The fermion kinetic energy corresponds to a tight-binding Hamiltonian with nearest-neighbor (-t) and next-nearest-neighbor (${\mathrm{t}}^{|\mathrm{I}\mathrm{H}}$) hopping matrix elements. In addition to the on-site Hubbard interaction (U) we also consider a nearest-neighbor repulsion (V). We obtain the zero-temperature phase diagram of our model within the Hartree-Fock approximation. We consider ground states having charge- and spin-density-wave ordering as well as states with orbital antiferromagnetism or spin nematic order. The latter two states correspond to particle-hole binding with ${\mathrm{d}}_{{\mathrm{x}}^{2}\mathrm{\ensuremath{-}}{\mathrm{y}}^{2}}$ symmetry in the charge and spin channels, respectively. For ${\mathrm{t}}^{|\mathrm{I}\mathrm{H}}$=0, only the charge-density-wave and spin-density-wave states are energetically stable. For nonzero ${\mathrm{t}}^{|\mathrm{I}\mathrm{H}}$, we find that orbital antiferromagnetism (or spin nematic) order is stable over a finite portion of the phase diagram at weak coupling. This region of stability is seen to grow with increasing values of ${\mathrm{t}}^{|\mathrm{I}\mathrm{H}}$.

arXiv:cond-mat/9703213Physical review. B, Condensed matterJun 15, 199724 citations

We study the magnetic properties of the two-dimensional Hubbard model with nearest-neighbor (t) and next-nearest-neighbor (

{t}_{2}

) hopping and on-site repulsion U. We first calculate the mean-field phase diagram as a function of band filling and U. Because of the Van Hove singularity in the density of states, we find a ferromagnetic phase extending to zero U for certain band filling. For the half-filled band case, antiferromagnetism sets in at a finite value of U if

{t}_{2}

\ensuremath{\ne}0. We study the behavior of spin-spin correlation functions for small lattices of up to N=64 atoms using Monte Carlo simulations, as well as exact diagonalization for N=4. Our results show enhanced ferromagnetic correlations in some regions, but apparently no ferromagnetic long-range order. In the half-filled case, our numerical results are consistent with a nonzero critical U. For a non-half-filled band our results suggest that there is no long-range order.

Using an improved version of the projection quantum Monte Carlo technique, we study the square-lattice Hubbard model with nearest-neighbor hopping

t

and next-nearest-neighbor hopping ${t}^{\ensuremath{'}}$ by simulation of lattices with up to $20\ifmmode\times\else\texttimes\fi{}20$ sites. For a given ${R\phantom{\rule{0ex}{0ex}}=\phantom{\rule{0ex}{0ex}}2t}^{\ensuremath{'}}/t$, we consider that filling which leads to a singular density of states of the noninteracting problem. For repulsive interactions, we find an itinerant ferromagnet (antiferromagnet) for

R\phantom{\rule{0ex}{0ex}}=\phantom{\rule{0ex}{0ex}}0.94

(

R\phantom{\rule{0ex}{0ex}}=\phantom{\rule{0ex}{0ex}}0.2

). This is consistent with the prediction of the

T

-matrix approximation, which sums the most singular set of diagrams.

{\mathrm{t}}^{|\mathrm{I}\mathrm{H}}

) hopping matrix elements. In addition to the on-site Hubbard interaction (U) we also consider a nearest-neighbor repulsion (V). We obtain the zero-temperature phase diagram of our model within the Hartree-Fock approximation. We consider ground states having charge- and spin-density-wave ordering as well as states with orbital antiferromagnetism or spin nematic order. The latter two states correspond to particle-hole binding with ${\mathrm{d}}_{{\mathrm{x}}^{2}\mathrm{\ensuremath{-}}{\mathrm{y}}^{2}}$ symmetry in the charge and spin channels, respectively. For

{\mathrm{t}}^{|\mathrm{I}\mathrm{H}}

=0, only the charge-density-wave and spin-density-wave states are energetically stable. For nonzero

{\mathrm{t}}^{|\mathrm{I}\mathrm{H}}

, we find that orbital antiferromagnetism (or spin nematic) order is stable over a finite portion of the phase diagram at weak coupling. This region of stability is seen to grow with increasing values of

{\mathrm{t}}^{|\mathrm{I}\mathrm{H}}