Abstract The effect of an external magnetic field on the phase transitions and the thermodynamic and magnetic properties of the three-dimensional antiferromagnetic Ising model on a body-centered cubic lattice has been studied using a replica algorithm of the Monte Carlo method, taking into account the interactions of next nearest neighbors. A phase diagram of the dependence of the critical temperature on an external magnetic field has been built. It is shown that a second-order phase transition is observed in the magnetic field range under consideration.
Phase transitions in the antiferromagnetic Ising model on a body-centered cubic lattice are studied on the basis of the replica algorithm by the Monte Carlo method and histogram analysis taking into account the interaction of next-to-nearest neighbors. The phase diagram of the dependence of the critical temperature on the intensity of interaction of the next-to-nearest neighbors is constructed. It is found that a second-order phase transition is realized in this model in the investigated interval of the intensities of interaction of next-to-nearest neighbors.
Phase transitions of the layered antiferromagnetic Ising model on a cubic lattice with allowance for intralayer next nearest neighbor interactions in the range of 0.0 ⩽ r < 1.0 have been studied on the basis of the replica algorithm by the Monte Carlo method. The character of phase transitions has been analyzed on the basis of the histogram method and the Binder cumulant method. The phase diagram of the dependence of the critical temperature on the next nearest neighbor interaction has been constructed. It has been shown that a secondorder phase transition is observed in the interval of 0.0 ⩽ r ⩽ 0.5 and for the value r = 0.9 and a first-order phase transition is observed in the interval of 0.6 ⩽ r < 0.8.
The phase diagrams of Ising antiferromagnets in a magnetic field
H are investigated for various values of the ratio
R 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<0 only an antiferromagnetically ordered phase exists. Its transition to the disordered phase is first order for temperatures below the tricritical point (
Tt,
Ht). For $R\ensuremath{\rightarrow}0$ also ${T}_{t}\ensuremath{\rightarrow}0$. For
R=0 we find very good agreement with the results of M\"uller-Hartmann and Zittartz. For
R>0 and
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=0, such that for
T>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<H1 the regime of the antiferromagnetic phases goes to zero temperature, while for
R>21 the superantiferromagnetic phase exists also for
H<H1. The order-disorder transition associated with this phase seems to have non-Ising critical exponents which vary as a function of
R and
H. Estimates for the exponents lead us to suggest that Suzuki's "weak universality" is valid. The behavior of the model at
T=0 is related to known results on hard-core lattice gases. It is shown that it is useful to interpret the transitions at
T=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 between nearest neighbors and additional interactions
JNNN between next-nearest neighbors and
J3NN between third-nearest neighbors. Results in zero magnetic field are obtained for a wide range of R=
JNNN/JNN and R'=
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.