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Transições de fases quânticas em sistemas de spins em redes de baixa dimensionalidade

S. Rufo

Published Nov 13, 2015• 0 citations
OpenAlex

Abstract

In this thesis we study spin systems in low dimension at zero temperature, analyzing their quantum phase transitions. In particular, we used a variational method and a linear spin wave theory for obtaining the approximate ground state. Firstly, we studied the order-disorder transitions of the quasi-one-dimensional isotropic antiferromagneticHeisenberg model of spin-1=2, dened on a square lattice with exchange interactions between nearest neighbors, J and J0. The latter interaction is responsible for onedimensional or two-dimensional behavior of the model namely, when it is zero and when it has a nonzero value, respectively. We obtained the staggered magnetizations of the antiferromagnetic and collinear antiferromagnetic phases. In the absence of exchange interactions between second neighbors, the collinear antiferromagnetic phase is obtained for J0 < 0. This model in the one-dimensional limit has a critical value for the ratio J0=J, where we have a phase transition of the order-disorder type. We founda critical value J0=J = 0, which corresponds to the value physically expected, and compare our results with the linear spin wave theory, that predicts a nonzero critical value. The variational method is also used in the study of the Heisenberg anisotropic model with frustration induced by the inclusion of exchange interactions between second neighbors J2. We renamed the exchange interactions of the rst neighbors J1 e J0 1 , so this model is known as J1 J0 1 J2. Furthermore, we include in this modelthe exchange anisotropy which follows the x and y components of the spin operators. Thus, the more general Hamiltonian presents the isotropic Heisenberg and Ising model limits for certain values of the anisotropy. With the goal to analyze the real role played by this anisotropy, we distinguish between rst and seconds neighbors by the labels 1and 2, respectively. We analyzed the staggered magnetization and the energies for the antiferromagnetic, collinear antiferromagnetic and quantum paramagnetic phase. From these analyzes, we observed quantum phase transitions for certain values of the exchange anisotropy and frustration parameter, the latter one given by the ratio J2=J1. The global phase diagram was also obtained for the cases where the rst and second neighbor exchange anisotropies are equal and where they dier from each other. In the rst case, we can observe the ordered phases, Néel and collinear antiferromagnetic, and between them a magnetically disordered phase. We checked the existence of a critical endpoint separating the three phases. In the second case, we note that the exchange anisotropy inuences the region of the disordered phase, aecting even the existence of the critical endpoint. Besides presenting, at certain intervals of the anisotropy, a behavior that was not expected a priori. We also analyze the quasi-one-dimensional behavior J01 ! 0, where the shape of the phase diagram is unchanged. We explore the degree of dimer formation via the dimerization parameter for some values of exchange anisotropy and obtain a higher degree of dimerization for the disordered phase in comparison with the ordered phases, as expected. We end this work with a generalization of the rst study without frustration in function only of the exchange anisotropy. As a challenge to the variational method, we study the more general J1 J0 1 J2 modelfor integer spin-1 without the exchange anisotropy and avoiding the unidimensional case. Dierent from what happens in the semi-integer spins case, we did not nd the disordered phase for integer spin S= 1. We note only a rst-order phase transition between the ordered phases. Finally, we return to the frustrated model with exchange anisotropies 1 and 2 to study the model from a perspective of linear spin wavetheory, in order to compare the results with those obtained via the variational method. A detailed analysis was performed based on the comparison between the two methods, which agreed qualitatively in all explored boundaries and even those behaviors that were not expected from the variational method were conrmed by the spin wave theory.This consistency of the results allowed us to get a dierent view of the role played by the exchange anisotropy when dierentiated for rst and second neighbors. If the anisotropies are considered equal they work only as a parameter that carries the model from the isotopic Heisenberg limit to the Ising model. However, when dierent, they promote disorder in the system.

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•Nov 10, 2013•0 citations
In this thesis we study spin systems in low dimension at zero temperature, analyzing their quantum phase transitions. In particular, we used a variational method and a linear spin wave theory for obtaining the approximate ground state. Firstly, we studied the order-disorder transitions of the quasi-one-dimensional isotropic antiferromagneticHeisenberg model of spin-1=2, dened on a square lattice with exchange interactions between nearest neighbors, J and J0. The latter interaction is responsible for onedimensional or two-dimensional behavior of the model namely, when it is zero and when it has a nonzero value, respectively. We obtained the staggered magnetizations of the antiferromagnetic and collinear antiferromagnetic phases. In the absence of exchange interactions between second neighbors, the collinear antiferromagnetic phase is obtained for J0 < 0. This model in the one-dimensional limit has a critical value for the ratio J0=J, where we have a phase transition of the order-disorder type. We founda critical value J0=J = 0, which corresponds to the value physically expected, and compare our results with the linear spin wave theory, that predicts a nonzero critical value. The variational method is also used in the study of the Heisenberg anisotropic model with frustration induced by the inclusion of exchange interactions between second neighbors J2. We renamed the exchange interactions of the rst neighbors J1 e J0 1 , so this model is known as J1 J0 1 J2. Furthermore, we include in this modelthe exchange anisotropy which follows the x and y components of the spin operators. Thus, the more general Hamiltonian presents the isotropic Heisenberg and Ising model limits for certain values of the anisotropy. With the goal to analyze the real role played by this anisotropy, we distinguish between rst and seconds neighbors by the labels 1and 2, respectively. We analyzed the staggered magnetization and the energies for the antiferromagnetic, collinear antiferromagnetic and quantum paramagnetic phase. From these analyzes, we observed quantum phase transitions for certain values of the exchange anisotropy and frustration parameter, the latter one given by the ratio J2=J1. The global phase diagram was also obtained for the cases where the rst and second neighbor exchange anisotropies are equal and where they dier from each other. In the rst case, we can observe the ordered phases, Néel and collinear antiferromagnetic, and between them a magnetically disordered phase. We checked the existence of a critical endpoint separating the three phases. In the second case, we note that the exchange anisotropy inuences the region of the disordered phase, aecting even the existence of the critical endpoint. Besides presenting, at certain intervals of the anisotropy, a behavior that was not expected a priori. We also analyze the quasi-one-dimensional behavior J01 ! 0, where the shape of the phase diagram is unchanged. We explore the degree of dimer formation via the dimerization parameter for some values of exchange anisotropy and obtain a higher degree of dimerization for the disordered phase in comparison with the ordered phases, as expected. We end this work with a generalization of the rst study without frustration in function only of the exchange anisotropy. As a challenge to the variational method, we study the more general J1 J0 1 J2 modelfor integer spin-1 without the exchange anisotropy and avoiding the unidimensional case. Dierent from what happens in the semi-integer spins case, we did not nd the disordered phase for integer spin S= 1. We note only a rst-order phase transition between the ordered phases. Finally, we return to the frustrated model with exchange anisotropies 1 and 2 to study the model from a perspective of linear spin wavetheory, in order to compare the results with those obtained via the variational method. A detailed analysis was performed based on the comparison between the two methods, which agreed qualitatively in all explored boundaries and even those behaviors that were not expected from the variational method were conrmed by the spin wave theory.This consistency of the results allowed us to get a dierent view of the role played by the exchange anisotropy when dierentiated for rst and second neighbors. If the anisotropies are considered equal they work only as a parameter that carries the model from the isotopic Heisenberg limit to the Ising model. However, when dierent, they promote disorder in the system.
In this work the ordering processes in classical frustrated Ising models and the ground-state behavior of frustrated quantum spin models are investigated. In the first part the phase transition from a high-temperature paramagnetic phase to a antiferromagnetic ground state is analyzed for the square-lattice Ising model with competing antiferromagnetic interactions between nearest- and next-nearest-neighbor spins. In the case of spatially isotropic interactions the phase transition to a collinear state is of special interest. Using Monte-Carlo simulations on finite lattices as well as field-theoretical methods for the continuous model it is shown that depending on the frustration three different sectors can be distinguished that show (i) Ising-universal behavior (ii) Ashkin-Teller-like non-universal behavior (varying critical exponents) and (iii) non-critical first-order behavior. For spatially anisotropic interactions the emergence of an intermediate incommensurate phase is verified by means of Monte-Carlo simulations which has been predicted by earlier mean-field calculations. The nature of this phase is studied analyzing spin-spin correlation functions and its ordering wave-vector reveals a strong temperature and size dependence. In the second part the influence of quantum fluctuations on classical antiferromagnetic ground states are investigated in anisotropic quantum spin-1/2 Heisenberg models with competing interactions. Using quantum Monte-Carlo simulations, exact diagonalization and perturbation theory the ground-state phase diagrams are calculated for a square lattice with nearest- and next-nearest-neighbor interactions and a honeycomb lattice with up to third-nearest-neighbor interactions whereby the fluctuations are chosen to be non-frustrating. For both cases the stability regions of classical magnetic states are identified and an intermediate phase is detected that shows no sign of long-range magnetic order. Further calculations also rule out valence-bond-crystal or topological order for this state, thus a quantum disordered ground state is stabilized in these models.
The phase diagram of the anisotropic quantum spin-1/2 Heisenberg antiferromagnet in the presence of competitive nearest (J1)({J}_{1})(J1​)- and next-nearest $({J}_{2}=\ensuremath{\alpha}{J}_{1})$-neighbor interactions on a simple cubic lattice is studied within the framework of the differential operator technique. The Hamiltonian is solved by using an effective-field theory in a two-spin cluster. We propose a function for the free energy, which is similar to the Landau expansion, in order to find the ground state (T=0)(T=0)(T=0) and the finite-TTT phase diagram. At zero temperature, we find a first-order quantum phase transition in the point ${\ensuremath{\alpha}}_{c}(\ensuremath{\Delta})$ between the antiferromagnetic (AF) and superantiferromagnetic (SAF) phases. This is dependent on the anisotropy parameter $\ensuremath{\Delta}$ ($\ensuremath{\Delta}=0$ and 1 correspond to the isotropic Heisenberg and Ising models, respectively). The quantum critical values of ${\ensuremath{\alpha}}_{c}(\ensuremath{\Delta}\ensuremath{\ne}1)={\ensuremath{\alpha}}_{c}^{q}(\ensuremath{\Delta})$ are smaller than those of the classical model ${\ensuremath{\alpha}}_{c}(\ensuremath{\Delta}=1)={\ensuremath{\alpha}}_{c}^{c}=1/4$ (for example, for $\ensuremath{\Delta}=0$, we find ${\ensuremath{\alpha}}_{c}^{q}(0)=0.21$). The former monotonically increases with the anisotropy parameter $\ensuremath{\Delta}$. The phase diagram in $T\text{\ensuremath{-}}\ensuremath{\alpha}$ plane presents a second-order transition at ${T}_{2}(\ensuremath{\alpha})$ between the AF and paramagnetic (P) phases. The phase transition between the SAF and P phases is of first-order ${T}_{1}(\ensuremath{\alpha})$ for all values of $\ensuremath{\Delta}∊[0,1]$. The phase transition lines ${T}_{1}(\ensuremath{\alpha})$ and ${T}_{2}(\ensuremath{\alpha})$ merge in a critical end point (CEP) that is dependent on $\ensuremath{\Delta}$ [i.e., ${T}_{\text{CEP}}(\ensuremath{\Delta})$ and ${\ensuremath{\alpha}}_{\text{CEP}}(\ensuremath{\Delta})$ are the temperature and frustration parameters at the CEP]. The ordered phases (AF and SAF) are separated by first-order transitions and exhibit a nontrivial re-entrant behavior at low temperatures.
In the present work low energy excitations in various antiferromagnetic systems are investigated.The first part is devoted to the antiferromagnetic Heisenberg chain with two different alternating magnetic ions having spins S A and S B .The system can be characterised as a ferrimagnet with a long range ordered ground state.Linear spin wave theory (LSWT) leads to a qualitatively correct description of two excitation branches.The low energy spectrum contains ferromagnetic magnons which are discussed in the introductory chapter.The LSWT results are compared with the numerical data from exact diagonalisation for the case S A =1 and S B =1/2.In the second part of the thesis, the quantum phase transitions from the Néel phase to the Heisenberg phase and from the Néel phase to the Haldane phase for half-odd-integer spins S =1 /2, 3/2 and integer spins S =1 , 2, respectively, are studied in context of the Haldane conjecture.The models are analysed by means of high-order series expansions for the ground state properties and excitation energies.The expansion parameter is the anisotropy λ where the unperturbed case λ =0corresponds to the Ising model.For the integer-S systems the following scenario is obtained: The phase transitions from the Néel phase to the Haldane phase are determined by the condensation of the so-called spin zero defects (SZD) at finite anisotropy.These domain wall type excitations can be characterised as S z =0states embedded in the antiferromagnetic order.The critical exponents β of the order parameter and η of the correlation function are those of the two-dimensional Ising model.In contrast to the above scenario, the half-odd-integer S =1/2 chain undergoes the Kosterlitz-Thouless phase transition at the isotropic point.In the case of the S =3/2 chain the critical behaviour of the static structure factor S (zz) (π) is consistent with the exponentially divergent correlation length at the isotropic point.Finally, kink excitations of the S =1 /2 Heisenberg antiferromagnet chain with nearest and next nearest neighbour interactions (the zigzag chain) are investigated.Here a kink is defined as a free spin S =1 /2 mediating two dimerised ground states.The phase diagram of the zigzag chain contains the Majumdar-Ghosh model as well as the S =1/2 spin ladder and the S =1Heisenberg antiferromagnet.Starting from the Majumdar-Ghosh model, a two-kink variational wave function with S tot =1is constructed.The variational parameter is the characteristic distance between the two kinks.The variational wave function describes the low energy triplet excitation of the gapped zigzag chain in a qualitatively correct way.Within this approach, the elementary excitation of the spin ladder as well as the Haldane triplet of the S =1chain appears as a bound state of two kinks.The phase diagram of the zigzag chain contains the incommensurate phase where the wave vector of the lowest mode k 0 runs from k 0 =0to k 0 = π.At the qualitative level, this behaviour is correctly described by the variational approach.
We study the zero-temperature phase diagram of the J 1 XXZ – J 2 XXZ Heisenberg model for spin-1 particles on an infinite square lattice interacting via nearest-neighbour ( ) and next-nearest-neighbour ( J 2 >0) bonds. The two bonds have the same XXZ -type anisotropy in spin space. The effects on the quasiclassical Néel-ordered and collinear stripe-ordered states of varying the anisotropy parameter Δ are investigated using the coupled cluster method carried out up to high orders. By contrast with the case for spin- particles studied previously, no intermediate disordered phase between the Néel and collinear stripe phases, for any value of the frustration J 2 / J 1 , for either the z -aligned (Δ>1) or xy -planar-aligned (0≤Δ<1) states, is predicted here. The quantum phase transition is determined as first order for all values of J 2 / J 1 and Δ. The position of the phase boundary J 2 c (Δ) is determined accurately. It is observed to deviate most from its classical position (for all values of Δ>0) at the Heisenberg isotropic point (Δ = 1), where J 2 c (1) = 0.55 ± 0.01. By contrast, at the XY isotropic point (Δ = 0), we find J 2 c (0) = 0.50 ± 0.01. In the Ising limit ( ), as expected.
The ground-state properties of the quasi-one-dimensional spin-1/21/21/2 antiferromagnetic Heisenberg model is investigated by using a variational method. Spins on chains along the xxx direction are antiferromagnetically coupled with exchange J>0J>0J>0, while spins between chains in the yyy direction are coupled either ferromagnetically (${J}^{\ensuremath{'}}<0$) or antiferromagnetically (${J}^{\ensuremath{'}}>0$). The staggered and the colinear antiferromagnetic magnetizations are computed and their dependence on the anisotropy parameter $\ensuremath{\lambda}=|{J}^{\ensuremath{'}}|/J$ is analyzed. It is found that an infinitesimal interchain coupling parameter is sufficient to stabilize a long-range order with either a staggered magnetization ms{m}_{s}ms​ (${J}^{\ensuremath{'}}>0$) or a colinear antiferromagnetic magnetization mcaf{m}_{caf}mcaf​ (${J}^{\ensuremath{'}}<0$), both behaving as $\ensuremath{\simeq}{\ensuremath{\lambda}}^{1/2}$ for $\ensuremath{\lambda}\ensuremath{\rightarrow}0$.
We investigate the quantum dynamics of the spins on different Heisenberg antiferromagnetic spin lattice systems. Firstly, we applied the coupled-cluster method to the spin-1/2 antiferromagnetic \emph{XXZ} model on a square lattice by employing an approximation which contains two-body long-range correlations and high-order four-body local correlations. Improvement is found for the ground-state energy, sublattice magnetization, and the critical anisotropy when comparing with the approximation including the two-body correlations alone. We also obtain the full excitation spectrum which is in good agreement with the quantum Monte Carlo results and the high-order spin-wave theory.Secondly, we study the longitudinal excitations of quantum antiferromagnets on a triangular lattice by a recently proposed microscopic many-body approach based on magnon-density waves. We calculate the full longitudinal excitation spectra of the antiferromagnetic Heisenberg model for a general spin quantum number in the isotropic limit. Similar to the square lattice model, we find that, at the center of the first hexagonal Brillouin zone Γ(q=0)\Gamma(\mathbf q=0)Γ(q=0) and at the magnetic ordering wavevectors ±[Q=(4π/3,0)]\pm[\mathbf Q= (4\pi/3,0)]±[Q=(4π/3,0)], the excitation spectra become gapless in the thermodynamic limit, due to the slow, logarithmic divergence of the structure factor. However, these longitudinal modes on two-dimensional models may be considered as quasi-gapped, as any finite-size effect or small anisotropy will induce a large energy gap, when compared with the counterpart of the transverse spin-wave excitations. We have also investigated the excited states of the quasi-one-dimensional quantum antiferromagnets on hexagonal lattices, including the longitudinal modes based on the magnon-density waves. A model Hamiltonian with a uniaxial single-ion anisotropy is first studied by a spin-wave theory based on the one-boson method; the ground state thus obtained is employed for the study of the longitudinal modes. The full energy spectra of both the transverse modes (i.e., magnons) and the longitudinal modes are obtained as functions of the nearest-neighbor coupling and the anisotropy constants. We have found two longitudinal modes due to the non-collinear nature of the triangular antiferromagnetic order, similar to that of the phenomenological field theory approach by Affleck. The excitation energy gaps due to the anisotropy and the energy gaps of the longitudinal modes without anisotropy are then investigated. We then compares our results for the longitudinal energy gaps at the magnetic wavevectors with the experimental results for several antiferromagnetic compounds with both integer and non-integer spin quantum numbers, and we find good agreements after the higher-order contributions are included in our calculations.