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Physical review. B, Solid state

Critical behavior of a bcc Ising antiferromagnet in a magnetic field

D. P. Landau

Published Nov 1, 1977• 60 citations
Publisher

Abstract

Field-induced phase transitions in the bcc Ising antiferromagnet with nearest-neighbor interactions have been studied using a Monte Carlo method. The properties of $N\ifmmode\times\else\texttimes\fi{}N\ifmmode\times\else\texttimes\fi{}N$ lattices with periodic boundary conditions have been determined for $N\ensuremath{\le}16$ and the size effects analyzed using finite-size scaling theory. We find no field dependence of the critical exponents and only a slow variation of critical amplitudes in small fields in agreement with the "smoothness postulate." At low temperatures the critical-field curve shows a weak, but clear maximum which is about 2% greater than the zero-temperature value ${H}_{c}$. Crossover to noncritical exponential behavior due to thermally induced spin flips is observed as we move away from the low-temperature phase boundary.

DOI
10.1103/physrevb.16.4164

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Physical review. B, Condensed matter•Mar 1, 1980•442 citations
Field-induced phase transitions in the bcc Ising antiferromagnet with nearest-neighbor interactions have been studied using a Monte Carlo method. The properties of N\ifmmode×\else\texttimes\fiN\ifmmode×\else\texttimes\fiNN\ifmmode\times\else\texttimes\fi{}N\ifmmode\times\else\texttimes\fi{}NN\ifmmode×\else\texttimes\fiN\ifmmode×\else\texttimes\fiN lattices with periodic boundary conditions have been determined for N\ensuremath≤16N\ensuremath{\le}16N\ensuremath≤16 and the size effects analyzed using finite-size scaling theory. We find no field dependence of the critical exponents and only a slow variation of critical amplitudes in small fields in agreement with the "smoothness postulate." At low temperatures the critical-field curve shows a weak, but clear maximum which is about 2% greater than the zero-temperature value Hc{H}_{c}Hc​. Crossover to noncritical exponential behavior due to thermally induced spin flips is observed as we move away from the low-temperature phase boundary.
Motived by the $H\text{\ensuremath{-}}T$ phase diagram in the bcc Ising antiferromagnetic with nearest-neighbor interactions obtained by Monte Carlo simulation [Landau, Phys. Rev. B 16, 4164 (1977)] that shows a reentrant behavior at low temperature, with two critical temperatures in magnetic field about 2% greater than the critical value Hc=8J{H}_{c}=8JHc​=8J, we apply the effective field renormalization group (EFRG) approach in this model on three-dimensional lattices (simple cubic-sc and body centered cubic-bcc). We find that the critical curve TN(H){T}_{N}(H)TN​(H) exhibits a maximum point around of $H\ensuremath{\simeq}{H}_{c}$ only in the bcc lattice case. We also discuss the critical behavior by the effective field theory in clusters with one (EFT-1) and two (EFT-2) spins, and a reentrant behavior is observed for the sc and bcc lattices. We have compared our results of EFRG in the bcc lattice with Monte Carlo and series expansion, and we observe a good accordance between the methods.
A Monte Carlo method has been used to study a simple cubic Ising ferromagnet in a random quenched magnetic field. The Hamiltonian for this model is ℋ==JΣ(ij)σiσj−ΣiHiσi, where σi,σj=±1, J is the nearest-neighbor interaction constant, and the field Hi=tH is fixed at each site with ti=±1 at random and Σti=0. L×L×L lattices with periodic boundary conditions have been studied for a range of H and T. As expected we find a ferromagnetic ordered state which for small H undergoes a second order phase change to the paramagnetic state with increasing temperature. A finite size scaling analysis of the preliminary data suggests that the critical exponent β is substantially smaller (β∼0.2) than the usual 3-dim Ising value of 0.31. Results obtained for small lattices indicate that below kT/J-2 the transition becomes first order suggesting that a tricritical point appears on the critcal field curve.
An importance sampling Monte Carlo method has been used to study $L\ifmmode\times\else\texttimes\fi{}L$ Ising square lattices with periodic boundary conditions. The behavior of the thermal and magnetic properties was determined over a wide range of RRR, the ratio of next-nearest- to nearest-neighbor coupling. From these data we have extracted the RRR dependence of the critical temperature and a range of other critical parameters. Within our experimental error the critical exponents are independent of RRR but the critical amplitudes are not. The data do however suggest a change in $\ensuremath{\alpha}$ for RRR slightly greater than \textonehalf{}. Variations in critical entropy and internal energy may be as large as those resulting from changes in lattice or spin dimensionalities. Our results are compared and contrasted with those obtained by a range of theoretical methods.
The critical properties of an antiferromagnetic Ising model on a square lattice with interactions of the next-to-nearest neighbors are investigated by a replica Monte-Carlo method. Using the finite-size scaling theory the static critical exponents of specific heat, ordering parameter, susceptibility, correlation radius as well as the Fisher exponent are calculated. An analysis of data is performed both with and without taking into account a correction to the finite-size scaling. It was found that in the model under consideration the second order phase transition is observed. It is shown that this model belongs to the new class of universality of critical behavior.
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.
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.