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arXiv:1104.4707 · Physical Review B

Effects of spin vacancies on magnetic properties of the Kitaev-Heisenberg model

Fabien Trousselet, Giniyat Khaliullin, Peter Horsch

Published Aug 2, 2011• 39 citations
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Abstract

We study the ground-state properties of the Kitaev-Heisenberg model in a magnetic field and explore the evolution of spin correlations in the presence of nonmagnetic vacancies. By means of exact diagonalizations, the phase diagram without vacancies is determined as a function of the magnetic field and the ratio between Kitaev and Heisenberg interactions. We show that, in the (antiferromagnetic) stripe-ordered phase, the static susceptibility and its anisotropy can be described by a spin canting mechanism. This accounts as well for the transition to the polarized phase when including quantum fluctuations perturbatively. Effects of spin vacancies depend sensitively on the type of the ground state. In the liquid phase, the magnetization pattern around a single vacancy in a small field is determined, and its spatial anisotropy is related to that of nonzero further neighbor correlations induced by the field and/or Heisenberg interactions. In the stripe phase, the joint effect of a vacancy and a small field breaks the sixfold symmetry of the model and stabilizes a particular stripe pattern. Similar symmetry-breaking effects occur even at zero field due to effective interactions between vacancies. This selection mechanism and intrinsic randomness of vacancy positions may lead to spin-glass behavior.

DOI
10.1103/physrevb.84.054409

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We study the ground-state properties of the Kitaev-Heisenberg model in a magnetic field and explore the evolution of spin correlations in the presence of nonmagnetic vacancies. By means of exact diagonalizations, the phase diagram without vacancies is determined as a function of the magnetic field and the ratio between Kitaev and Heisenberg interactions. We show that, in the (antiferromagnetic) stripe-ordered phase, the static susceptibility and its anisotropy can be described by a spin canting mechanism. This accounts as well for the transition to the polarized phase when including quantum fluctuations perturbatively. Effects of spin vacancies depend sensitively on the type of the ground state. In the liquid phase, the magnetization pattern around a single vacancy in a small field is determined, and its spatial anisotropy is related to that of nonzero further neighbor correlations induced by the field and/or Heisenberg interactions. In the stripe phase, the joint effect of a vacancy and a small field breaks the sixfold symmetry of the model and stabilizes a particular stripe pattern. Similar symmetry-breaking effects occur even at zero field due to effective interactions between vacancies. This selection mechanism and intrinsic randomness of vacancy positions may lead to spin-glass behavior.
We explore the phase diagram of the Kitaev-Heisenberg model with nearest neighbor interactions on the honeycomb lattice using the exact diagonalization of finite systems combined with the cluster mean field approximation, and supplemented by the insights from analytic approaches: the linear spin-wave and second-order perturbation theories. This study confirms that by varying the balance between the Heisenberg and Kitaev term, frustrated exchange interactions stabilize in this model either one of four phases with magnetic long range order: N\'eel phase, ferromagnetic phase, and two other phases with coexisting antiferromagnetic and ferromagnetic bonds, zigzag and stripy phase, or one of two distinct spin-liquid phases. Out of these latter disordered phases, the one with ferromagnetic Kitaev interactions has a substantially broader range of stability as the neighboring competing ordered phases, ferromagnetic and stripy, have very weak quantum fluctuations. Focusing on the quantum spin-liquid phases, we study spatial spin correlations and dynamic spin structure factor of the model by the exact diagonalization technique, and discuss the evolution of gapped low-energy spin response across the quantum phase transitions between the disordered spin liquid and phases with long range magnetic order.
We study the interplay of disorder and Heisenberg interactions in the Kitaev model on a honeycomb lattice. The effect of disorder on the transition between Kitaev spin liquid and magnetic ordered states as well as the stability of magnetic ordering is investigated. Using Lanczos exact diagonalization we discuss the consequences of two types of disorder: (i) random-coupling disorder and (ii) singular-coupling disorder. They exhibit qualitatively similar effects in the pure Kitaev-Heisenberg model without long-range interactions. The range of spin-liquid phases is reduced and the transition to magnetic ordered phases becomes more crossoverlike. Furthermore, the long-range zigzag and stripy orderings in the clean system are replaced by their three domains with different ordering direction. Especially in the crossover range the coexistence of magnetically ordered and Kitaev spin-liquid domains is possible. With increasing the disorder strength the area of domains becomes smaller and the system goes into a spin-glass state. However, the disorder effect is different in magnetically ordered phases caused by long-range interactions. The stability of such magnetic ordering is diminished by singular-coupling disorder and, accordingly, the range of the spin-liquid regime is extended. This mechanism may be relevant to materials like $\ensuremath{\alpha}\text{\ensuremath{-}}{\mathrm{RuCl}}_{3}$ and H3LiIr2O6{\mathrm{H}}_{3}{\mathrm{LiIr}}_{2}{\mathrm{O}}_{6}H3​LiIr2​O6​ where the zigzag ground state is stabilized by weak long-range interactions. We also find that the flux gap closes at a critical disorder strength and vortices appears in the flux arrangement. Interestingly, the vortices tend to form kinds of commensurate ordering.
We investigate the properties of the Kitaev honeycomb model with both site dilution and exchange randomness. Embarking on this work, we review disorder in some strongly correlated electron systems, including spin-½ and spin-1 Heisenberg antiferromagnetic chains, two dimensional Heisenberg antiferromagnets, the cuprates and graphene. We outline some aspects of resonating valence bond phases, valence bond solids, spin liquids and quantum computation that are pertinent to an understanding of the Kitaev model. The properties of the Kitaev model without disorder are discussed and it is found to be a critical spin liquid, with algebraic correlations in two spin operators sigma^{alpha}_{i}sigma^{alpha}_{j}, where i and j,/em> are either end of a link of type alpha = x, y or z on the honeycomb lattice. The Kitaev model is exactly solvable and we show that this remains so in the presence of site dilution and exchange randomness. We find that vacancies bind a flux. In the gapped phase, a vacancy forms an effective paramagnetic moment. With two or more vacancies we describe the interaction of their effective moments and show that a finite density of vacancies leads to a divergent macroscopic susceptibility at small fields. In the gapless phase the effective moment has a susceptibility that is, to leading order at small fields, chi(h)~log(1/h). Interaction between the moments from two vacancies on opposite sublattices cuts off this divergence in susceptibility at a large but finite constant. Two vacancies on the same sublattice behave quite differently and we find the combined susceptibility is parametrically larger than that of an isolated vacancy, chi(h)sim [h(log(1/h))^{3/2}]^{-1}. We also investigate the effects of slowly varying, quenched disorder in exchange coupling. We demonstrate that this does not qualitatively affect the susceptibility but show that the heat capacity C ~ T^{2/z}, where z is a measure of the disorder and increases from one with increasing disorder strength.
We investigate the properties of the Kitaev honeycomb model with both site dilution and exchange randomness. Embarking on this work, we review disorder in some strongly correlated electron systems, including spin-½ and spin-1 Heisenberg antiferromagnetic chains, two dimensional Heisenberg antiferromagnets, the cuprates and graphene. We outline some aspects of resonating valence bond phases, valence bond solids, spin liquids and quantum computation that are pertinent to an understanding of the Kitaev model. The properties of the Kitaev model without disorder are discussed and it is found to be a critical spin liquid, with algebraic correlations in two spin operators sigma^{alpha}_{i}sigma^{alpha}_{j}, where i and j are either end of a link of type alpha = x, y or z on the honeycomb lattice. The Kitaev model is exactly solvable and we show that this remains so in the presence of site dilution and exchange randomness. We find that vacancies bind a flux. In the gapped phase, a vacancy forms an effective paramagnetic moment. With two or more vacancies we describe the interaction of their effective moments and show that a finite density of vacancies leads to a divergent macroscopic susceptibility at small fields. In the gapless phase the effective moment has a susceptibility that is, to leading order at small fields, chi(h)~log(1/h). Interaction between the moments from two vacancies on opposite sublattices cuts off this divergence in susceptibility at a large but finite constant. Two vacancies on the same sublattice behave quite differently and we find the combined susceptibility is parametrically larger than that of an isolated vacancy, chi(h)sim [h(log(1/h))^{3/2}]^{-1}. We also investigate the effects of slowly varying, quenched disorder in exchange coupling. We demonstrate that this does not qualitatively affect the susceptibility but show that the heat capacity C ~ T^{2/z}, where z is a measure of the disorder and increases from one with increasing disorder strength.
Topological spin liquids in two spatial dimensions are stable phases in the presence of a small magnetic field, but may give way to field-induced phenomena at intermediate field strengths. Sandwiched between the low-field spin liquid physics and the high-field spin-polarized phase, the exploration of magnetic phenomena in this intermediate regime, however, often remains elusive to controlled analytical approaches. Here we numerically study such intermediate-field magnetic phenomena for two representative Kitaev models (on the square-octagon and decorated honeycomb lattice) that exhibit either Abelian or non-Abelian topological order in the low-field limit. Using a combination of exact diagonalization and density matrix renormalization group techniques, as well as linear spin-wave theory, we establish the generic features of Kitaev spin liquids in an external magnetic field. While ferromagnetic models typically exhibit a direct transition to the polarized state at a relatively low field strength, antiferromagnetic couplings not only substantially stabilizes the topological spin liquid phase, but generically lead to the emergence of a distinct field-induced intermediate regime, separated by a crossover from the high-field polarized regime. Our results suggest that, for most lattice geometries, this regime generically exhibits significant spin canting, antiferromagnetic spin-spin correlations, and an extended proximate spin liquid regime at finite temperatures. Notably, we identify a symmetry obstruction in the original honeycomb Kitaev model that prevents, at least for certain field directions, the formation of such canted magnetism without breaking symmetries---consistent with the recent numerical observation of an extended gapless spin liquid in this case.
We present the zero-temperature phase diagram of a Heisenberg antiferromagnet on a frustrated triangular lattice with nearest-neighbor (J1)({J}_{1})(J1​) and next-nearest-neighbor (J2)({J}_{2})(J2​) interactions, in a magnetic field. We show that the classical model has an accidental degeneracy for all J2/J1{J}_{2}/{J}_{1}J2​/J1​ and all fields, but the degeneracy is lifted by quantum fluctuations. We show that at large spin SSS, for J2/J1<1/8{J}_{2}/{J}_{1}<1/8J2​/J1​<1/8, quantum fluctuations select the same sequence of three sublattice co-planar states in a field as for J2=0{J}_{2}=0J2​=0, and for 1/8<J2/J1<11/8<{J}_{2}/{J}_{1}<11/8<J2​/J1​<1, they select the canted stripe state for all nonzero fields. The transition between the two states is first order in all fields, with the hysteresis width set by quantum fluctuations. We study the model with arbitrary SSS, including S=1/2S=1/2S=1/2, near the saturation field by exploring the fact that near saturation the density of bosons is small for all SSS. We show that for S>1S>1S>1, the transition remains first order, with a finite hysteresis width, but for S=1/2S=1/2S=1/2 and, possibly, S=1S=1S=1, there appears a new intermediate phase without a quasiclassical long-range order.