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arXiv:1608.08109 · Physical review. B./Physical review. B

Spontaneous dimerization, critical lines, and short-range correlations in a frustrated spin-1 chain

Natalia Chepiga, Ian K. Affleck, Frédéric Mila

Published Nov 8, 2016• 31 citations
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Abstract

We report on a detailed investigation of the spin-$1 {J}_{1}\text{\ensuremath{-}}{J}_{2}\text{\ensuremath{-}}{J}_{3}$ Heisenberg model, a frustrated model with nearest-neighbor coupling ${J}_{1}$, next-nearest neighbor coupling ${J}_{2}$, and a three-site interaction ${J}_{3}\left[({\mathbf{S}}_{i\ensuremath{-}1}\ifmmode\cdot\else\textperiodcentered\fi{}{\mathbf{S}}_{i})({\mathbf{S}}_{i}\ifmmode\cdot\else\textperiodcentered\fi{}{\mathbf{S}}_{i+1})+\mathrm{H}.\mathrm{c}.\right]$ previously studied in [Phys. Rev. B 93, 241108(R) (2016)]. Using density matrix renormalization group (DMRG) and exact diagonalizations, we show that the phase boundaries between the Haldane phase, the next-nearest neighbor Haldane phase, and the dimerized phase can be very accurately determined by combining the information deduced from the dimerization, the ground-state energy, the entanglement spectrum and the Berry phase. By a careful investigation of the finite-size spectrum, we also show that the transition between the next-nearest neighbor Haldane phase and the dimerized phase is in the Ising universality class all along the critical line. Furthermore, we justify the conformal embedding of the $\mathrm{SU}{(2)}_{2}$ Wess-Zumino-Witten conformal field theory in terms of a boson and an Ising field, and we explicitly derive a number of consequences of this embedding for the spectrum along the $\mathrm{SU}{(2)}_{2}$ transition line between the Haldane phase and the dimerized phase. We also show that the solitons along the first-order transition line between the Haldane phase and the dimerized phase carry a spin-1/2, while the domain walls between different dimerization domains inside the dimerized phase carry a spin 1. Finally, we show that short-range correlations change character in the Haldane and dimerized phases through disorder and Lifshitz lines, as well as through the development of short-range dimer correlations in the Haldane phase, leading to a remarkably rich phase diagram.

DOI
10.1103/physrevb.94.205112

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Floating, critical, and dimerized phases in a frustrated spin- 32 chain

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We study spontaneous dimerization and emergent criticality in a spin-$\frac{3}{2}$ chain with antiferromagnetic nearest-neighbor ${J}_{1}$, next-nearest-neighbor ${J}_{2}$, and three-site ${J}_{3}$ interactions. In the absence of three-site interaction ${J}_{3}$, we provide evidence that the model undergoes a remarkable sequence of three phase transitions as a function of ${J}_{2}/{J}_{1}$, going successively through a critical-commensurate phase, a partially dimerized gapped phase, a critical floating phase with quasi-long-range incommensurate order, to end up in a fully dimerized phase at very large ${J}_{2}/{J}_{1}$. In the field-theory language, this implies that the coupling constant of the marginal operator responsible for dimerization changes sign three times. For large enough ${J}_{3}$, the fully dimerized phase is stabilized for all ${J}_{2}$, and the phase transitions between the critical phases and this phase are both Wess-Zumino-Witten (WZW) SU(2)${}_{3}$ along part of the boundary and turn first order at some point due to the presence of a marginal operator in the WZW SU(2)${}_{3}$ model. By contrast, the transition between the two-dimerized phase is always first order, and the phase transitions between the partially dimerized phase and the critical phases are Kosterlitz-Thouless. Finally, we discuss the intriguing spin-$\frac{1}{2}$ edge states that emerge in the partially dimerized phase for even chains. Unlike their counterparts in the spin-1 chain, they are not confined and disappear upon increasing ${J}_{2}$ in favor of a reorganization of the dimerization pattern.

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The antiferromagnetic spin-1 chain has a venerable history and has been thought to be well understood. Here, we show that inclusion of both next-nearest-neighbor $(\ensuremath{\alpha})$ and biquadratic $(\ensuremath{\beta})$ interactions results in a rich phase diagram with a multicritical point that has not been observed before. We study the problem using a combination of the density matrix renormalization group (DMRG), an analytic variational matrix product state wave function, and conformal field theory. For negative $\ensuremath{\beta}<{\ensuremath{\beta}}^{*}$, we establish the existence of a spontaneously dimerized phase, separated from the Haldane phase by the critical line ${\ensuremath{\alpha}}_{c}(\ensuremath{\beta})$ of second-order phase transitions. In the opposite regime, $\ensuremath{\beta}>{\ensuremath{\beta}}^{*}$, the transition from the Haldane phase becomes first order into the next-nearest-neighbor (NNN) AKLT phase. Based on the field theoretical arguments and DMRG calculations, we find that these two regimes are separated by a multicritical point $({\ensuremath{\beta}}^{*},{\ensuremath{\alpha}}^{*})$ of a different universality class, described by the level-4 SU(2) Wess-Zumino-Witten conformal theory. From the DMRG calculations, we estimate this multicritical point to lie in the range $\ensuremath{-}0.2<{\ensuremath{\beta}}^{*}<\ensuremath{-}0.15$ and $0.47<{\ensuremath{\alpha}}^{*}<0.53$. We further find that the dimerized and NNN-AKLT phases are separated from each other by a line of first-order phase transitions that terminates at the multicritical point. We establish that transitions out of the Haldane phase into the dimer or NNN-AKLT phases are topological in nature and occur either with or without closing of the bulk gap, respectively. We also study short-range incommensurate-to-commensurate transitions in the resulting phase diagram. Inside the Haldane phase, we show the existence of two incommensurate crossovers: the Lifshitz transition and the disorder transition of the first kind, marking incommensurate correlations in momentum and real space, respectively. Notably, these crossover lines stretch across the entire $(\ensuremath{\beta},\ensuremath{\alpha})$ phase diagram, merging into a single incommensurate-to-commensurate transition line for negative $\ensuremath{\beta}\ensuremath{\lesssim}{\ensuremath{\beta}}^{*}$ inside the dimer phase. This behavior is qualitatively similar to that seen in classical frustrated two-dimensional spin models, by way of the quantum (1+1)D to classical 2D correspondence.

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In this thesis we have studied the emergence of spontaneously dimerized phases in frustrated spin-S chains, with emphasis on the nature of the critical lines between the dimerized and non-dimerized phases. The main numerical method used in this thesis is the Density Matrix Renormalization Group (DMRG). The DMRG algorithm is a relatively old and well established method for the investigation of the ground-state. In this thesis, we show how to use this algorithm to calculate the excitation spectra of one-dimensional critical systems, known in the context of conformal field theory as conformal towers of states. We have demonstrated that the method works very well for two simple minimal models (the transverse-field Ising model and the three-state Potts model), and we have used it systematically to identify the universality classes and the underlying conformal field theories of various one-dimensional spin systems. It has been known for a long time that the transition to a spontaneously dimerized phase in a spin-1 chain can be either continuous, in the Wess-Zumino-Witten (WZW) SU(2) level 2 universality class, or first order. By combining a careful numerical investigation with a conformal field theory analysis, we were able to detect in a frustrated spin-1 chain with competing next-nearest-neighbor and three-site interactions the presence of yet another type of continuous phase transition that belongs to the Ising universality class. In contrast to the WZW SU(2) level 2 critical line, at which the singlet-triplet gap closes, the Ising transition occurs entirely in the singlet sector, while the singlet-triplet gap remains open. The use of the standard DMRG approach, along the lines mentioned above, has allowed us to provide explicit numerical evidence for the presence of a conformal tower of singlets inside the spin gap. Moreover, according to field theory, a WZW SU(2) level k critical line can turn into a first order transition due to the presence of a marginal operator in the WZW SU(2) level k model. A careful investigation of the conformal towers along the critical lines has allowed us to find the precise location of this point in both S=1 and S=3/2 chains. We have also shown that the nature of the continuous dimerization transitions is related to the topological properties of the corresponding phases, and that the phase diagrams of various frustrated spin chains can be effectively extracted by looking at the local topological order parameter - the degeneracy of the lowest state in the entanglement spectrum. When coupled with the conformal field theory of open systems, DMRG appears to be an extremely powerful tool to characterize not only the phase diagram and the ground-state correlations of quantum one-dimensional systems, but also the excitation spectrum and the conformal structure along critical lines.

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Dimerization transitions in spin-1 chains

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Comment on “Frustration and multicriticality in the antiferromagnetic spin-1 chain”

Natalia Chepiga, Ian K. Affleck, Frédéric Mila

The phase diagram of the spin-1 chain with bilinear-biquadratic and next-nearest-neighbor interactions, recently investigated by Pixley, Shashi, and Nevidomskyy [Phys. Rev. B 90, 214426 (2014)], has been revisited in the light of results we have recently obtained on a similar model. Combining extensive density-matrix renormalization-group simulations with conformal-field theory arguments, we confirm the presence of the three phases identified by Pixley et al., a Haldane phase, a next-nearest-neighbor (NNN) Haldane phase, and a dimerized phase, but we come to significantly different conclusions regarding the nature of the phase transitions to the dimerized phase: (i) We provide numerical evidence of a continuous Ising transition between the NNN-Haldane phase and the dimerized phase. (ii) We show that the tricritical end point, where the continuous transition between the Haldane phase and the dimerized phase turns into a first-order transition, is distinct from the triple point where the three phases meet. (iii) Finally, we demonstrate that the tricritical end point is in the same Wess-Zumino-Witten $\mathrm{SU}{(2)}_{2}$ universality class as the continuous transition line that ends at this point.

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Dimerization and effective decoupling in two spin-1 generalizations of the spin- 12 Majumdar-Ghosh chain

Natalia Chepiga, Frédéric Mila

We perform a systematic DMRG investigation of the two natural spin-1 generalizations of the spin-1/2 Majumdar-Ghosh chain, the spin-1 ${J}_{1}\text{\ensuremath{-}}{J}_{2}$ Heisenberg chain, where ${J}_{2}$ is a next-nearest-neighbor Heisenberg coupling, and the spin-1 ${J}_{1}\text{\ensuremath{-}}{J}_{3}$ model, where ${J}_{3}$ refers to a three-site interaction defined by ${J}_{3}\left[({\mathbf{S}}_{i\ensuremath{-}1}\ifmmode\cdot\else\textperiodcentered\fi{}{\mathbf{S}}_{i})({\mathbf{S}}_{i}\ifmmode\cdot\else\textperiodcentered\fi{}{\mathbf{S}}_{i+1})+\mathrm{H}.\mathrm{c}.\right]$. Although both models are rigorously equivalent to the Majumdar-Ghosh chain for spin 1/2, their physics appears to be quite different for spin 1. Indeed, when all couplings are antiferromagnetic, the spin-1 ${J}_{1}\text{\ensuremath{-}}{J}_{2}$ model undergoes an effective decoupling into two next-nearest-neighbor (NNN) Haldane chains upon increasing ${J}_{2}$, while the ${J}_{1}\text{\ensuremath{-}}{J}_{3}$ chain undergoes a spontaneous dimerization similar to the spin-1/2 Majumdar-Ghosh chain upon increasing ${J}_{3}$. By extending the phase diagram to all signs of the couplings, we show that both the dimerized and the NNN-Haldane phase are actually present in the ${J}_{1}\text{\ensuremath{-}}{J}_{3}$ model, the former one adjacent to the Haldane one, the latter to the ferromagneric one, with an Ising transition between them. By contrast, the ${J}_{1}\text{\ensuremath{-}}{J}_{2}$ chain only has a NNN-Haldane phase between the Haldane phase and the ferromagnetic phase for positive ${J}_{2}$. In both cases, our DMRG data are consistent with a continuous Kosterlitz-Thouless transition between the NNN-Haldane and the ferromagnetic phases.

arXiv:1907.11472•Physical review. B./Physical review. B•Sep 20, 2019•8 citations
We report on a detailed investigation of the spin-1J1\ensuremath-J2\ensuremath-J31 {J}_{1}\text{\ensuremath{-}}{J}_{2}\text{\ensuremath{-}}{J}_{3}1J1​\ensuremath-J2​\ensuremath-J3​ Heisenberg model, a frustrated model with nearest-neighbor coupling J1{J}_{1}J1​, next-nearest neighbor coupling J2{J}_{2}J2​, and a three-site interaction J3[(Si\ensuremath−1\ifmmode⋅\else\textperiodcentered\fiSi)(Si\ifmmode⋅\else\textperiodcentered\fiSi+1)+H.c.]{J}_{3}\left[({\mathbf{S}}_{i\ensuremath{-}1}\ifmmode\cdot\else\textperiodcentered\fi{}{\mathbf{S}}_{i})({\mathbf{S}}_{i}\ifmmode\cdot\else\textperiodcentered\fi{}{\mathbf{S}}_{i+1})+\mathrm{H}.\mathrm{c}.\right]J3​[(Si\ensuremath−1​\ifmmode⋅\else\textperiodcentered\fiSi​)(Si​\ifmmode⋅\else\textperiodcentered\fiSi+1​)+H.c.] previously studied in [Phys. Rev. B 93, 241108(R) (2016)]. Using density matrix renormalization group (DMRG) and exact diagonalizations, we show that the phase boundaries between the Haldane phase, the next-nearest neighbor Haldane phase, and the dimerized phase can be very accurately determined by combining the information deduced from the dimerization, the ground-state energy, the entanglement spectrum and the Berry phase. By a careful investigation of the finite-size spectrum, we also show that the transition between the next-nearest neighbor Haldane phase and the dimerized phase is in the Ising universality class all along the critical line. Furthermore, we justify the conformal embedding of the SU(2)2\mathrm{SU}{(2)}_{2}SU(2)2​ Wess-Zumino-Witten conformal field theory in terms of a boson and an Ising field, and we explicitly derive a number of consequences of this embedding for the spectrum along the SU(2)2\mathrm{SU}{(2)}_{2}SU(2)2​ transition line between the Haldane phase and the dimerized phase. We also show that the solitons along the first-order transition line between the Haldane phase and the dimerized phase carry a spin-1/2, while the domain walls between different dimerization domains inside the dimerized phase carry a spin 1. Finally, we show that short-range correlations change character in the Haldane and dimerized phases through disorder and Lifshitz lines, as well as through the development of short-range dimer correlations in the Haldane phase, leading to a remarkably rich phase diagram.
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The antiferromagnetic spin-1 chain has a venerable history and has been thought to be well understood. Here, we show that inclusion of both next-nearest-neighbor $(\ensuremath{\alpha})$ and biquadratic $(\ensuremath{\beta})$ interactions results in a rich phase diagram with a multicritical point that has not been observed before. We study the problem using a combination of the density matrix renormalization group (DMRG), an analytic variational matrix product state wave function, and conformal field theory. For negative $\ensuremath{\beta}<{\ensuremath{\beta}}^{*}$, we establish the existence of a spontaneously dimerized phase, separated from the Haldane phase by the critical line ${\ensuremath{\alpha}}_{c}(\ensuremath{\beta})$ of second-order phase transitions. In the opposite regime, $\ensuremath{\beta}>{\ensuremath{\beta}}^{*}$, the transition from the Haldane phase becomes first order into the next-nearest-neighbor (NNN) AKLT phase. Based on the field theoretical arguments and DMRG calculations, we find that these two regimes are separated by a multicritical point $({\ensuremath{\beta}}^{*},{\ensuremath{\alpha}}^{*})$ of a different universality class, described by the level-4 SU(2) Wess-Zumino-Witten conformal theory. From the DMRG calculations, we estimate this multicritical point to lie in the range $\ensuremath{-}0.2<{\ensuremath{\beta}}^{*}<\ensuremath{-}0.15$ and $0.47<{\ensuremath{\alpha}}^{*}<0.53$. We further find that the dimerized and NNN-AKLT phases are separated from each other by a line of first-order phase transitions that terminates at the multicritical point. We establish that transitions out of the Haldane phase into the dimer or NNN-AKLT phases are topological in nature and occur either with or without closing of the bulk gap, respectively. We also study short-range incommensurate-to-commensurate transitions in the resulting phase diagram. Inside the Haldane phase, we show the existence of two incommensurate crossovers: the Lifshitz transition and the disorder transition of the first kind, marking incommensurate correlations in momentum and real space, respectively. Notably, these crossover lines stretch across the entire $(\ensuremath{\beta},\ensuremath{\alpha})$ phase diagram, merging into a single incommensurate-to-commensurate transition line for negative $\ensuremath{\beta}\ensuremath{\lesssim}{\ensuremath{\beta}}^{*}$ inside the dimer phase. This behavior is qualitatively similar to that seen in classical frustrated two-dimensional spin models, by way of the quantum (1+1)D to classical 2D correspondence.
In this thesis we have studied the emergence of spontaneously dimerized phases in frustrated spin-S chains, with emphasis on the nature of the critical lines between the dimerized and non-dimerized phases. The main numerical method used in this thesis is the Density Matrix Renormalization Group (DMRG). The DMRG algorithm is a relatively old and well established method for the investigation of the ground-state. In this thesis, we show how to use this algorithm to calculate the excitation spectra of one-dimensional critical systems, known in the context of conformal field theory as conformal towers of states. We have demonstrated that the method works very well for two simple minimal models (the transverse-field Ising model and the three-state Potts model), and we have used it systematically to identify the universality classes and the underlying conformal field theories of various one-dimensional spin systems. It has been known for a long time that the transition to a spontaneously dimerized phase in a spin-1 chain can be either continuous, in the Wess-Zumino-Witten (WZW) SU(2) level 2 universality class, or first order. By combining a careful numerical investigation with a conformal field theory analysis, we were able to detect in a frustrated spin-1 chain with competing next-nearest-neighbor and three-site interactions the presence of yet another type of continuous phase transition that belongs to the Ising universality class. In contrast to the WZW SU(2) level 2 critical line, at which the singlet-triplet gap closes, the Ising transition occurs entirely in the singlet sector, while the singlet-triplet gap remains open. The use of the standard DMRG approach, along the lines mentioned above, has allowed us to provide explicit numerical evidence for the presence of a conformal tower of singlets inside the spin gap. Moreover, according to field theory, a WZW SU(2) level k critical line can turn into a first order transition due to the presence of a marginal operator in the WZW SU(2) level k model. A careful investigation of the conformal towers along the critical lines has allowed us to find the precise location of this point in both S=1 and S=3/2 chains. We have also shown that the nature of the continuous dimerization transitions is related to the topological properties of the corresponding phases, and that the phase diagrams of various frustrated spin chains can be effectively extracted by looking at the local topological order parameter - the degeneracy of the lowest state in the entanglement spectrum. When coupled with the conformal field theory of open systems, DMRG appears to be an extremely powerful tool to characterize not only the phase diagram and the ground-state correlations of quantum one-dimensional systems, but also the excitation spectrum and the conformal structure along critical lines.
We study spontaneous dimerization transitions in a Heisenberg spin-1 chain with additional next-nearest-neighbor and three-site interactions using extensive numerical simulations and a conformal field-theory analysis. We show that the transition can be second order in the Wess-Zumino-Witten (WZW) SU(2)2\mathrm{SU}{(2)}_{2}SU(2)2​ or Ising universality class, or first order. We argue that these features are generic because of a marginal operator in the WZW SU(2)2\mathrm{SU}{(2)}_{2}SU(2)2​ model and because of two topologically distinct nondimerized phases with or without edge states. We also provide explicit numerical evidence of conformal towers of singlets inside the spin gap at the Ising transition. Implications for other models are briefly discussed.
The phase diagram of the spin-1 chain with bilinear-biquadratic and next-nearest-neighbor interactions, recently investigated by Pixley, Shashi, and Nevidomskyy [Phys. Rev. B 90, 214426 (2014)], has been revisited in the light of results we have recently obtained on a similar model. Combining extensive density-matrix renormalization-group simulations with conformal-field theory arguments, we confirm the presence of the three phases identified by Pixley et al., a Haldane phase, a next-nearest-neighbor (NNN) Haldane phase, and a dimerized phase, but we come to significantly different conclusions regarding the nature of the phase transitions to the dimerized phase: (i) We provide numerical evidence of a continuous Ising transition between the NNN-Haldane phase and the dimerized phase. (ii) We show that the tricritical end point, where the continuous transition between the Haldane phase and the dimerized phase turns into a first-order transition, is distinct from the triple point where the three phases meet. (iii) Finally, we demonstrate that the tricritical end point is in the same Wess-Zumino-Witten SU(2)2\mathrm{SU}{(2)}_{2}SU(2)2​ universality class as the continuous transition line that ends at this point.
We perform a systematic DMRG investigation of the two natural spin-1 generalizations of the spin-1/2 Majumdar-Ghosh chain, the spin-1 ${J}_{1}\text{\ensuremath{-}}{J}_{2}$ Heisenberg chain, where J2{J}_{2}J2​ is a next-nearest-neighbor Heisenberg coupling, and the spin-1 ${J}_{1}\text{\ensuremath{-}}{J}_{3}$ model, where J3{J}_{3}J3​ refers to a three-site interaction defined by ${J}_{3}\left[({\mathbf{S}}_{i\ensuremath{-}1}\ifmmode\cdot\else\textperiodcentered\fi{}{\mathbf{S}}_{i})({\mathbf{S}}_{i}\ifmmode\cdot\else\textperiodcentered\fi{}{\mathbf{S}}_{i+1})+\mathrm{H}.\mathrm{c}.\right]$. Although both models are rigorously equivalent to the Majumdar-Ghosh chain for spin 1/2, their physics appears to be quite different for spin 1. Indeed, when all couplings are antiferromagnetic, the spin-1 ${J}_{1}\text{\ensuremath{-}}{J}_{2}$ model undergoes an effective decoupling into two next-nearest-neighbor (NNN) Haldane chains upon increasing J2{J}_{2}J2​, while the ${J}_{1}\text{\ensuremath{-}}{J}_{3}$ chain undergoes a spontaneous dimerization similar to the spin-1/2 Majumdar-Ghosh chain upon increasing J3{J}_{3}J3​. By extending the phase diagram to all signs of the couplings, we show that both the dimerized and the NNN-Haldane phase are actually present in the ${J}_{1}\text{\ensuremath{-}}{J}_{3}$ model, the former one adjacent to the Haldane one, the latter to the ferromagneric one, with an Ising transition between them. By contrast, the ${J}_{1}\text{\ensuremath{-}}{J}_{2}$ chain only has a NNN-Haldane phase between the Haldane phase and the ferromagnetic phase for positive J2{J}_{2}J2​. In both cases, our DMRG data are consistent with a continuous Kosterlitz-Thouless transition between the NNN-Haldane and the ferromagnetic phases.