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arXiv:cond-mat/0111410 · Physical review. B, Condensed matter

Numerical study of the spin-flop transition in anisotropic spin- 12 antiferromagnets

Seiji Yunoki

Published Jan 28, 2002• 40 citations
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Abstract

Magnetization processes of the spin-1/2 antiferromagnetic $\mathrm{XXZ}$ model in two and three spatial dimensions are studied using a quantum Monte Carlo method based on stochastic series expansions. A recently developed operator-loop algorithm enables us to show clear evidence of a first-order phase transition in the presence of an external magnetic field. Phase diagrams of closely related systems, hard core bosons with nearest-neighbor repulsions, are also discussed, focusing on the possibilities of phase-separated and supersolid phases.

DOI
10.1103/physrevb.65.092402

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Magnetization processes of the spin-1/2 antiferromagnetic XXZ\mathrm{XXZ}XXZ model in two and three spatial dimensions are studied using a quantum Monte Carlo method based on stochastic series expansions. A recently developed operator-loop algorithm enables us to show clear evidence of a first-order phase transition in the presence of an external magnetic field. Phase diagrams of closely related systems, hard core bosons with nearest-neighbor repulsions, are also discussed, focusing on the possibilities of phase-separated and supersolid phases.
By means of the recently proposed algorithm based on the tensor product states, the magnetization process of the spin-1/2 antiferromagnetic XXZ model on a square lattice is investigated. In the large spin-anisotropy limit, clear evidence of a first-order spin–flip transition is observed as an external magnetic field is increased. Our findings of the critical field and the discrete jumps in various local order parameters are in good agreement with the quantum Monte Carlo data in the literature. Our results imply that this algorithm can be an accurate and efficient numerical approach in studying first-order quantum phase transitions in two dimensions.
Using the quantum Monte Carlo method, we study, under external magnetic fields, the ground state phase diagram of the two-dimensional spin S=1/2 dimer model with an anisotropic intraplane antiferromagnetic coupling. With the anisotropy 4 greater/approximately Delta greater/approximately 3, a supersolid phase characterized by a nonuniform Bose condensate density that breaks translational symmetry is found. The rich phase diagram also contains a checkerboard solid, an antiferromagnet in the z axis, and a superfluid phase formed by S(z)= +1 spin triplets which has a finite staggered magnetization in the in-plane direction. As we show, the model can be realized as a consequence of including the next nearest neighbor coupling among dimers and our results suggest that spin dimer systems may be an ideal model system to study the supersolid phase.
We present results of a study of the antiferromagnetic spin-1 chain, subject to the simultaneous presence of single-ion anisotropy and external magnetic fields. Using a quantum Monte Carlo calculation based on the stochastic series expansion method, we first uncover a rich quantum phase diagram comprising N\'eel, Haldane, Luttinger-liquid, and large-anisotropy phases. Second, we scan across this phase diagram over a wide range of parameters, evaluating the transverse dynamic structure factor, which we show to exhibit sharp massive modes as well as multiparticle continua. For vanishing anisotropy and fields, comparison with existing results from other analytic and numerical approaches shows convincing consistency.
We determine the finite-temperature phase diagram of the square lattice hard-core boson Hubbard model with nearest neighbor repulsion using quantum Monte Carlo simulations. This model is equivalent to an anisotropic spin-1/2 XXZ model in a magnetic field. We present the rich phase diagram with a first order transition between a solid and superfluid phase, instead of a previously conjectured supersolid and a tricritical end point to phase separation. Unusual reentrant behavior with ordering upon increasing the temperature is found, similar to the Pomeranchuk effect in 3He.
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.
Motivated by recent experiments with a Penning ion trap quantum simulator, we perform numerically exact Stochastic Series Expansion quantum Monte Carlo simulations of long-range transverse-field Ising models on a triangular lattice for different decay powers $\ensuremath{\alpha}$ of the interactions. The phase boundary for the ferromagnet is obtained as a function of $\ensuremath{\alpha}$. For antiferromagnetic interactions, there is strong indication that the transverse field stabilizes a clock ordered phase with sublattice magnetization $(M,\ensuremath{-}\frac{M}{2},\ensuremath{-}\frac{M}{2})$ with unsaturated M<1M<1M<1 in a process known as ``order by disorder'' similar to the nearest-neighbor antiferromagnet on the triangular lattice. Connecting the known limiting cases of nearest-neighbor and infinite-range interactions, a semiquantitative phase diagram is obtained. Magnetization curves for the ferromagnet for experimentally relevant system sizes and with open boundary conditions are presented.