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

We report on a detailed investigation of the spin-1 J1−J2−J3 Heisenberg model, a frustrated model with nearest-neighbor coupling J1, next-nearest neighbor coupling J2, and a three-site interaction J3[(Si−1⋅Si)(Si⋅Si+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 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 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.

Dimerization and exotic criticality in spin-S chains

Natalia Chepiga

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.

EPFL2017

Emergence and Detection of Exotic Phases in Spin-1 Systems

Frédéric Alexis Michaud

This work is devoted to the study of spin S = 1 systems, and more precisely to the emergence of exotic quantum phases in such systems, and to the establishment of tools to observe such phases. It is split in four main chapters. In the first chapter, we show how spin S = 1 systems can emerge from microscopic models, and which kinds of interaction might appear in the effective spin model. We start from a two-orbital Hubbard model, and by a strong coupling development to fourth order, we derive an effective model. We will see that three types of interaction appear beyond the Heisenberg interaction : a plaquette interaction, a biquadratic interaction and a three-spin interaction. In the second chapter, we study Raman scattering on systems with quadrupolar order to show that it can be used to probe such order. We first start by deriving an effective light scattering operator following Shastry and Shraiman calculation on spin S = 1/2 systems. Using this effective operator, we compute the Raman spectra with exact diagonalization and linear flavor-wave theory. We show that two different regimes appear depending on the incoming photon energy, and that combining this to different polarizations accessible with Raman scattering, the presence of quadrupolar order can be established with this probe. The third chapter is devoted to the study of the three-spin interaction that appeared in the first chapter on a chain. We start by establishing the classical and the mean field phase diagram of this system. We then turn to the quantum case. We show that, whatever the value of the spin is, the ground state is perfectly dimerized for a particular value of the three-spin interaction. The presence of such a point in the phase diagram implies the existence of a quantum phase transition when increasing the three-spin interaction. By an intensive numerical study, we show that this transition is continuous, and that its critical behavior is the one of a SU(2)k=2S Wess-Zumino-Witten model, at least for spins S = 1/2,1,3/2,2. In the last section of this chapter, we study the phase diagram of the chain for spin S = 1 under a magnetic field. We conclude this work with a study of the three-spin interaction on a square lattice. The classical and mean field phase diagram are established. It is shown that for a large three-spin interaction, the classical ground state is highly degenerate. This degeneracy is lifted in the quantum case by a process of order by disorder. We compute the quantum fluctuations with linear spin-wave theory, and show that some phases are selected over others. We confirm these results by an exact diagonalization study of the system.

EPFL2013

Dimerization transitions in spin-1 chains

Natalia Chepiga, Frédéric Mila

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 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 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.