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Physical review. B, Solid state

Ising Model with Antiferromagnetic Next-Nearest-Neighbor Coupling: Spin Correlations and Disorder Points

John Stephenson

Published Jun 1, 1970• 103 citations
Publisher

Abstract

The existence of a disorder point ${T}_{D}$ is established for some one- and two-dimensional Ising lattices with antiferromagnetic next-nearest-neighbor interactions. Within the disordered phase, the decay of axial next-nearest-neighbor pair correlations with increasing spin separation is positive monotonic exponential below ${T}_{D}$ and oscillatory with exponential envelope above ${T}_{D}$. A general definition of a disorder point is formulated, and a method of estimating ${T}_{D}$ described.

DOI
10.1103/physrevb.1.4405

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Physical review. B, Condensed matter•May 1, 1985•202 citations
The existence of a disorder point TD{T}_{D}TD​ is established for some one- and two-dimensional Ising lattices with antiferromagnetic next-nearest-neighbor interactions. Within the disordered phase, the decay of axial next-nearest-neighbor pair correlations with increasing spin separation is positive monotonic exponential below TD{T}_{D}TD​ and oscillatory with exponential envelope above TD{T}_{D}TD​. A general definition of a disorder point is formulated, and a method of estimating TD{T}_{D}TD​ described.
The critical values of the ratio of interaction energies at which the ordering of spins in the ground state is indeterminate (and probably Tc=0{T}_{c}=0Tc​=0) are calculated exactly for a variety of Ising lattices with antiferromagnetic next-nearest-neighbor coupling, and for anisotropic nearest-neighbor coupling. Using these results and the exact two-dimensional solutions, the general dependence of the critical point on interaction ratio is sketched. The complex case of the antiferromagnetic fcc is reconsidered.
The Binder cumulant at the phase transition of Ising models on square lattices with ferromagnetic couplings between nearest neighbors and with competing antiferromagnetic couplings between next-nearest neighbors, along only one diagonal, is determined using Monte Carlo techniques. In the phase diagram a disorder line occurs separating regions with monotonically decaying and with oscillatory spin-spin correlations. Findings on the variation of the critical cumulant with the ratio of the two interaction strengths are compared to related recent results based on renormalization-group calculations.
We have considered the S=1∕2S=1∕2S=1∕2 antiferromagnetic Heisenberg model in two dimensions, with an additional Ising next-nearest-neighbor interaction. Antiferromagnetic next-nearest-neighbor interactions will lead to frustration, and the system responds with flipping the spins down in the xyxyxy plane. For large next-nearest-neighbor coupling the system will order in a striped phase along the zzz axis, this phase is reached through a first-order transition. We have considered two generalizations of this model, one with random next-nearest-neighbor interactions, and one with an enlarged unit cell, where only half of the atoms have next-nearest-neighbor interactions. In both cases the transition is softened to a second-order transition separating two ordered states. In the latter case we have estimated the quantum critical exponent $\ensuremath{\beta}\ensuremath{\approx}0.25$. These two cases then represent candidate examples of deconfined quantum criticality.
The phase diagrams of Ising antiferromagnets in a magnetic field HHH are investigated for various values of the ratio RRR between nearest- and next-nearest-neighbor interaction. While meanfield approximations and the existing real-space renormalization-group treatments yield phase diagrams which are sometimes even qualitatively incorrect, accurate results are obtained from Monte Carlo calculations. For R<0R<0R<0 only an antiferromagnetically ordered phase exists. Its transition to the disordered phase is first order for temperatures below the tricritical point (Tt{T}_{t}Tt​,Ht{H}_{t}Ht​). For $R\ensuremath{\rightarrow}0$ also ${T}_{t}\ensuremath{\rightarrow}0$. For R=0R=0R=0 we find very good agreement with the results of M\"uller-Hartmann and Zittartz. For R>0R>0R>0 and H1<H<H2{H}_{1}<H<{H}_{2}H1​<H<H2​ a new phase with anomalous high ground-state degeneracy is found (two sublattices have only one-dimensional order). These sublattices undergo order-disorder transitions at T=0T=0T=0, such that for T>0T>0T>0 one is left with a "superantiferromagnetic" phase. At low temperatures in this phase a pronounced tendency is observed to form a simpler (2 \ifmmode\times\else\texttimes\fi{} 2) superstructure but with many antiphase domain boundaries. For $R\ensuremath{\rightarrow}\frac{1}{2}$ and H<H1H<{H}_{1}H<H1​ the regime of the antiferromagnetic phases goes to zero temperature, while for R>12R>\frac{1}{2}R>21​ the superantiferromagnetic phase exists also for H<H1H<{H}_{1}H<H1​. The order-disorder transition associated with this phase seems to have non-Ising critical exponents which vary as a function of RRR and HHH. Estimates for the exponents lead us to suggest that Suzuki's "weak universality" is valid. The behavior of the model at T=0T=0T=0 is related to known results on hard-core lattice gases. It is shown that it is useful to interpret the transitions at T=0T=0T=0 as generalized percolation transitions. Since the model may have applications to adsorbate phases in registered structures at (100) surfaces of cubic crystals, the transcription of our results to temperature-coverage phase diagrams and adsorption isotherms is discussed in detail, and possible experimental applications are mentioned.
Monte Carlo simulations are used to study the location and nature of phase boundaries for Ising square lattices with antiferromagnetic coupling JNN{J}_{\mathrm{NN}}JNN​ between nearest neighbors and additional interactions JNNN{J}_{\mathrm{NNN}}JNNN​ between next-nearest neighbors and J3NN{J}_{3\mathrm{N}\mathrm{N}}J3NN​ between third-nearest neighbors. Results in zero magnetic field are obtained for a wide range of R=JNNN/JNN{J}_{\mathrm{NNN}/{J}_{\mathrm{NN}}}JNNN/JNN​​ and R'=J3NN/JNN{J}_{3\mathrm{N}\mathrm{N}/{J}_{\mathrm{NN}}}J3NN/JNN​​. In addition to the c(2\ifmmode\times\else\texttimes\fi{}2) and (2\ifmmode\times\else\texttimes\fi{}1) phases, which also occur for R'=0, we find new (4\ifmmode\times\else\texttimes\fi{}4) and (4\ifmmode\times\else\texttimes\fi{}2) ordered states, for R'\ensuremath{\ne}0, which are separated from the disordered state by lines of first-order transitions. The nonuniversal critical behavior of the (2\ifmmode\times\else\texttimes\fi{}1) phase is studied using the block-distribution method and finite-size scaling. The possible existence of incommensurate phases is also explored.